Deep Cholesterol Binding Sites on Mammalian Membrane Proteins
Transporters
[Letters refer to subunits as given in the PDB file, followed by the TM helix number:Units of E, kcals/mol with molar concentration units].
E | Donor | Acceptor | Local Residues (within 3 Å of a cholesterol -OH group) | |||||
ATPases | ||||||||
Calcium ATPase [B sarcolipin; C phospholamban] | ||||||||
E1 with bound Ca and AMPPCP, rabbit 1vfp | ||||||||
-6.1 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Met941 [9] | Ser942 [9] | |
-5.9 | Chl | OH | Leu797 [6] | O | Leu797 [6] | Leu802 [6] | Ser940 [9] | |
E1 with bound Ca, rabbit 1su4 | ||||||||
-6.4 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Ser942 [9] | ||
-6.2 | Chl | OH | Met909 [8] | O | Thr906 [8] | Met909 [8] | Cys910 [8] | |
-5.8 | Gly979 [10] | N | Chl | O | Leu975 [10] | Gly979 [10] | ||
E1 with bound Ca, rabbit, 2c9m | ||||||||
-7.0 | Chl | OH | Thr906 [8] | OG1 | Thr906 [8] | Cys910 [8] | ||
Thr906 [8] | OG1 | Chl | OH | |||||
-6.1 | Chl | OH | Gly842 [7] | O | Gly842 [7] | |||
Structure in ultrathin crystals, rabbit, 3j7t | ||||||||
-6.4 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Ser942 [9] | ||
E1 Mg bound state with TNPAMP, rabbit, 3w5b | ||||||||
-6.3 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Ser942 [9] | ||
Ca bound phosphorylated form with AMPPN, rabbit 3ba6 | ||||||||
-7.0 | Chl | OH | Leu797 [6] | O | Leu797 [6] | Val798 [6] | Ser940 [9] | |
-6.4 | Chl | OH | Ala839 [7] | O | Met838 [7] | Ala839 [7] | Gly842 [7] | Tyr843 [7] |
-6.4 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Ser942 [9] | ||
-6.3 | Chl | OH | Met909 [8] | O | Thr906 [8] | Met909 [8] | Cys910 [8] | |
Chl | OH | Thr906 [8] | O | |||||
E1 with bound Ca and AMPPCP, rabbit 1t5s | ||||||||
-6.9 | Chl | OH | Met909 [8] | O | Thr906 [8] | Met909 [8] | Cys910 [8] | |
Chl | OH | Thr906 [8] | O | |||||
E1 state with bound Ca and AMPPCP, rabbit, 4xou | ||||||||
-7.3 | Chl | OH | Leu797 [6] | O | Leu797 [6] | Val798 [6] | Ser940 [9] | |
-6.9 | Chl | OH | Ser940 [9] | OG | Leu797 [6] | Val798 [6] | Ser940 [9] | |
-6.4 | Chl | OH | Ala839 [7] | O | Met838 [7] | Ala839 [7] | Gly842 [7] | Tyr843 [7] |
Tyr843 [7] | N | Chl | OH | |||||
E1 Ca bound state mutant with AMPPCP, rabbit, 4nab | ||||||||
None | ||||||||
E2 State with phosphate, rabbit, 3w5d | ||||||||
-6.7 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Met941 [9] | Ser942 [9] | |
E2 state, and thapsigargin, rabbit 1iwo | ||||||||
-6.7 | Chl | OH | Tyr295 [4] | O | Tyr295 [4] | |||
E2 thapsigargin compex, rabbit, 5xab | ||||||||
-6.3 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Ser942 [9] | ||
-6.2 | Chl | OH | Tyr295 [4] | O | Tyr295 [4] | |||
E2 state, Ca free with thapsigargin, rabbit, 2c8l | ||||||||
-6.6 | Cys910 [8] | SG | Chl | OH | Thr906 [8] | Cys910 [8] | ||
-6.2 | Chl | OH | Tyr295 [4] | O | Tyr295 [4] | |||
With bound thapsigargin, rabbit, 2ear | ||||||||
-7.2 | Chl | OH | Cys268 [3] | O | Cys268 [3] | Trp272 [3] | ||
Trp272 [3] | N | Chl | OH | |||||
-6.3 | Trp794 [6] | N | Chl | OH | Val790 [6] | Trp794 [6] | ||
E2 state and magnesium fluoride rabbit 1wpg | ||||||||
5.7 | Trp794 [6] | N | Chl | O | Val790 [6] | Leu793 [6] | Trp794 [6] | |
E2 state and thapsigargin and aluminium fluoride rabbit 1xp5 | ||||||||
-6.0 | Chl | OH | Tyr295 [4] | O | Tyr295 [4] | |||
E2 state, Ca free with thapsigargin and AMPPCP, rabbit, 2c8k | ||||||||
-6.3 | Cys910 [8] | SG | Chl | OH | Thr906 [8] | Cys910 [8] | ||
E2 state and AMPPN and aluminium fluoride rabbit 3b9r | ||||||||
-6.5 | Chl | OH | Pro91 [2] | O | Ala69 [1] | Pro91 [2] | Leu95 [2] | |
E2-Pi state and beryllium fluoride rabbit 3b9b | ||||||||
None | ||||||||
With bound BHQ and thapsigargin, rabbit 2agv | ||||||||
None | ||||||||
With bound thapsigargin derivative, rabbit 2by4 | ||||||||
-7.4 | Chl | OH | Val790 [6] | O | Val790 [6] | Leu793 [6] | Trp794 [6] | |
-6.4 | Chl | OH | Leu975 [10] | O | Leu975 [10] | Pro976 [10] | Gly979 [10] | |
E2 Ca free state with dibutanoyl thapsigargin, 2yfy | ||||||||
-6.7 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Met941 [9] | Ser942 [9] | |
With bound thapsigargin and AMPPCP, rabbit 2c88 | ||||||||
-6.6 | Chl | OH | Tyr295 [4] | O | Tyr295 [4] | Ala299 [4] | ||
-6.3 | Chl | OH | Gly842 [7] | O | Ala839 [7] | Gly842 [7] | Tyr843 [7] | |
-6.2 | Cys910 [8] | SG | Chl | O | Thr906 [8] | Met909 [8] | Cys910 [8] | |
With bound CPA and thapsigargin, rabbit, 2eat | ||||||||
-6.2 | Chl | OH | Pro91 [2] | O | Ala69 [1] | Pro91 [2] | ||
-6 | Chl | OH | Leu266 [3] | O | Leu266 [3] | Ile267 [3] | ||
-5.7 | Chl | OH | Leu793 [6] | O | Leu793 [6] | Trp794 [6] | ||
With bound CPA and curcumin, rabbit, 2eau | ||||||||
None | ||||||||
With bound cyclopiazonic acid and aluminium fluoride, rabbit 2o9j | ||||||||
-6.8 | Chl | OH | Val790 [6] | O | Val790 [6] | Leu793 [6] | Trp794 [6] | |
-5.9 | Cys910 [8] | SG | Chl | O | Thr906 [8] | Cys910 [8] | ||
-5.6 | Chl | OH | Ala270 [3] | O | Ala270 [3] | Leu273 [3] | ||
Chl | OH | Leu273 [3] | O | |||||
With bound cyclopiazonic acid and ADP, rabbit, 2oao | ||||||||
-7.2 | Chl | OH | Val790 [6] | O | Val790 [6] | Trp794 [6] | ||
-5.9 | Chl | OH | Gly842 [7] | O | Ala839 [7] | Gly842 [7] | Tyr843 [7] | |
E2-vandate complex with thapsigargin and TNP-AMPPCP, rabbit, 5a3q | ||||||||
-6.1 | Chl | OH | Cys268 [3] | O | Cys268 [3] | Trp272 [3] | ||
Trp272 [3] | N | Chl | OH | |||||
E2-vanadate complex with thapsigargin and TNP-ATPP, rabbit, 5a3s | ||||||||
-5.9 | Chl | OH | Tyr295 [4] | O | Tyr295 [4] | |||
-5.7 | Cys70 [1] | N | Chl | OH | Leu66 [1] | Cys70 [1] | ||
-5.7 | Chl | OH | Cys268 [3] | O | Cys268 [3] | Trp272 [3] | ||
E2-BeF3 complex with TNP-AMPPCP, rabbit, 5a3r | ||||||||
-6.6 | Chl | OH | Ile264 [3] | O | Ile264 [3] | Ser265 [3] | ||
Chl | OH | Ser265 [3] | OG | |||||
-6.0 | Chl | OH | Ala306 [4] | O | Ala306 [4] | |||
-5.9 | Chl | OH | Ala69 [1] | O | Ala69 [1] | Pro91 [2] | ||
E1-Ca bound with lipid, rabbit, 5xa7 | ||||||||
-6.4 | Chl | OH | Ser942 [9] | OG | Cys938 [9] | Ser942 [9] | ||
-6.1 | Chl | OH | Met909 [8] | O | Met909 [8] | Leu913 [8] | ||
-6.0 | Gly979 [10] | N | Chl | OH | Leu975 [10] | Pro976 [10] | Gly979 [10] | |
E1-AlF4 complex with Ca and ADP, rabbit, 5xa8 | ||||||||
-6.4 | Chl | OH | Leu797 [6] | O | Leu797 [6] | Val798 [6] | Ser940 [9] | |
Chl | OH | Ser940 [9] | OG | |||||
E2-AlF4 complex with thapsigargin, , rabbit, 5xa9 | ||||||||
-6.9 | Chl | OH | Val790 [6] | O | Val790 [6] | Trp794 [6] | ||
Trp794 [6] | N | Chl | OH | |||||
E2-AlF4 complex with thapsigargin, different crystal form, rabbit, 5xaa | ||||||||
-6.7 | Chl | OH | Cys268 [3] | O | Cys268 [3] | Tyr295 [4] | ||
Chl | OH | Tyr295 [4] | OH | |||||
-6.4 | Chl | OH | Val790 [6] | O | Val790 [6] | Leu793 [6] | Trp794 [6] | |
-6.1 | Chl | OH | Pro91 [2] | O | Ala69 [1] | Pro91 [2] | Ile94 [2] | |
-5.9 | Chl | OH | Pro976 [10] | O | Leu975 [10] | Pro976 [10] | Ile978 [10] | Gly979 [10] |
Gly979 [10] | N | Chl | OH | |||||
With bound tetrahydrocarbazole and TNP-ATP, rabbit, 5ncq | ||||||||
None | ||||||||
E1 with bound Ca and sarcolipin, rabbit 4h1w | ||||||||
-6.9 | Chl | OH | Thr18 [B] | OG1 | Val14 [B] | Thr18 [B] | ||
-6.2 | Chl | OH | Thr18 [B] | OG1 | Leu96 [2] | Ala100 [2] | Thr18 [B] | |
-6.2 | Chl | OH | Cys268 [3] | O | Cys268 [3] | Val269 [3] | ||
With sarcolipin and magnesium in E1 state, rabbit 3w5a | ||||||||
-6.1 | Chl | OH | Cys268 [3] | O | Cys268 [3] | Val269 [3] | ||
-6.0 | Gly979 [10] | N | Chl | O | Leu975 [10] | Gly979 [10] | ||
With two bound phospholamban, rabbit 4kyt | ||||||||
7.0 | Chl | OH | Ile33 [C] | O | Ile33 [C] | Asn34 [C] | ||
-6.3 | Chl | OH | Ser974 [10] | OG | Thr906 [8] | Cys910 [8] | Ser974 [10] | |
Cys910 [8] | SG | Chl | O | |||||
SERCA pig heart, 5mpm | ||||||||
None | ||||||||
Na,K- ATPases [A, alpha subunit; B, β1 subunit; G, γ subunit] | ||||||||
Pig kidney, 3b8e | ||||||||
-7.0 | Chl | OH | Leu46 [B] | O | Tyr43 [B] | Leu46 [B] | Ala47 [B] | |
-6.6 | Chl | OH | Ser298 [A 3] | OG | Phe294 [A 3] | Ser298 [A 3] | ||
-6.5 | Chl | OH | Gly806 [A 6] | O | Gly806 [A 6] | Thr807 [A 6] | Val810 [A 6] | |
-6.4 | Chl | OH | Leu36 [G] | O | Leu36 [G] | |||
-6.4 | Chl | OH | Glu953 [A 9] | OE2 | Glu953 [A 9] | |||
-6.3 | Chl | OH | Ala101 [A 1] | O | Trp98 [A 1] | Ala101 [A 1] | Ile102 [A 1] | |
Pig kidney with bound Na, pre-E1P state without oligomycin, 3wgu | ||||||||
-8.0 | Chl | OH | Ser988 [A 10] | OG | Ala925 [A 8] | Ser988 [A 10] | Leu989 [A 10] | |
-7.2 | Chl | OH | Glu953 [A 9] | OE1 | Glu953 [A 9] | Leu957 [A 9] | ||
-7.1 | Chl | OH | Gly806 [A 6] | O | Leu805 [A 6] | Gly806 [A 6] | Met809 [A 6] | Val810 [A 6] |
Chl | OH | Leu805 [A 6] | O | |||||
Pig kidney with bound Na, pre-E1P state with oligomycin, 3wgv | ||||||||
-6.8 | Chl | OH | Gly806 [A 6] | O | Gly806 [A 6] | Glu954 [A 9] | ||
-6.7 | Chl | OH | Gly806 [A 6] | O | Leu805 [A 6] | Gly806 [A 6] | Val810 [A 6] | |
Chl | OH | Leu805 [A 6] | O | |||||
-6.5 | Chl | OH | Glu953 [A 9] | OE1 | Glu953 [A 9] | |||
Pig kidney with bound Rb (K analogue), 3kdp | ||||||||
-7.1 | Chl | OH | Leu36 [G] | O | Phe33 [G] | Leu36 [G] | ||
Chl | OH | Phe33 [G] | O | |||||
-6.9 | Thr955 [A 9] | OG1 | Chl | O | Trp924 [A 8] | Thr955 [A 9] | ||
-6.8 | Thr955 [A 9] | OG1 | Chl | O | Leu951 [A 9] | Phe952 [A 9] | Thr955 [A 9] | |
-6.6 | Chl | OH | Gly806 [A 6] | O | Leu805 [A 6] | Gly806 [A 6] | ||
Chl | OH | Leu805 [A 6] | O | |||||
-6.4 | Ala925 [A 8] | N | Chl | O | Val921 [A 8] | Trp924 [A 8] | Ala925 [A 8] | Ser988 [A 10] |
Chl | OH | Ser988 [A 10] | OG | |||||
-6.3 | Chl | OH | Glu953 [A 9] | OE2 | Gly806 [A 6] | Glu953 [A 9] | ||
Chl | OH | Gly806 [A 6] | O | |||||
Pig kidney phosphorylated form with bufalin, 4res | ||||||||
-7.9 | Thr955 [A 9] | OG1 | Chl | O | Trp924 [A 8] | Leu951 [A 9] | Thr955 [A 9] | |
-7.4 | Chl | OH | Gly848 [A 7] | O | Tyr847 [A 7 | Gly848 [A 7] | Tyr43 [B] | |
Chl | OH | Tyr847 [A 7] | O | |||||
Tyr43 [B] | OH | Chl | O | |||||
Pig kidney phosphorylated form with ouabain, 4hyt | ||||||||
-6.6 | Ala925 [A 8] | N | Chl | O | Val921 [A 8] | Trp924 [A 8] | Ala925 [A 8] | |
-6.5 | Chl | OH | Gly848 [A 7] | O | Tyr847 [A 7] | Gly848 [A 7] | Tyr43 [B] | |
Chl | OH | Tyr43 [B] | OH | |||||
Chl | OH | Tyr847 [A 7] | O | |||||
Tyr43 [B] | OH | Chl | O | |||||
Shark, 2zxe | ||||||||
-8.1 | Chl | OH | Thr814 [A 6] | O | Gly813 [A 6] | Thr814 [A 6] | Met816 [A 6] | Val817[A6] Pro818[A6] |
-6.9 | Chl | OH | Ser995 [A 10] | OG | Ser995 [A 10] | Leu996 [A 10] | ||
-6.6 | Chl | OH | Glu960 [A 9] | OE1 | Glu960 [A 9] | |||
-6.3 | Chl | OH | Thr138 [A 2] | OG1 | Val134 [A 2] | Ser137 [A 2] | Thr138 [A 2] | |
Shark complex with ouabain, 3a3y | ||||||||
-7.6 | Chl | OH | Ser995 [A 10] | OG | Ser995 [A 10] | Leu996 [A 10] | ||
-7.1 | Chl | OH | Leu41 [B] | O | Tyr40 [B] | Leu41 [B] | Gly45 [B] | |
-7.1 | Chl | OH | Ile327 [A 4] | O | Ala299 [A 3] | Ile327 [A 4] | ||
-6.9 | Ala932 [A 8] | N | Chl | O | Val928 [A 8] | Trp931 [A 8] | Ala932 [A 8] | Ser995 [A 10] |
Shark with Tl substitution, 5avr | ||||||||
-8.1 | Chl | OH | Ser995 [A 10] | OG | Ser995 [A 10] | Leu996 [A 10] | ||
Shark with Rb substitution, 5aw4 | ||||||||
-7.6 | Chl | OH | Ser995 [A 10] | OG | Ser995 [A 10] | Leu996 [A 10] | ||
-6.8 | Chl | OH | Ser995 [A 10] | OG | Ala932 [A 8] | Ser995 [A 10] | Leu996 [A 10] | |
Solute Carrier (SLC) Transporter Superfamily | ||||||||
EAAT1 excitatory amino acid transporter (SLC1), mutant, bound to L-Asp, human, 5llu | ||||||||
-5.9 | Chl | OH | Trp267 [5] | O | Trp267 [5] | Tyr268 [5] | Pro270 [5] | Leu271 [5] |
GLUT1 glucose transporter (SLC2), mutant, human, 4pyp | ||||||||
None | ||||||||
GLUT1 glucose transporter (SLC2), bound to cytocholasin, human, 5eqi | ||||||||
-7.1 | Chl | OH | Ser73 [2] | OG | Ser73 [2] | Trp412 [11] | ||
GLUT1 glucose transporter (SLC2), bound to GLUT-i1 inhibitor, human, 5eqg | ||||||||
-6.6 | Chl | OH | Ser73 [2] | OG | Ser73 [2] | Trp412 [11] | ||
GLUT1 glucose transporter (SLC2), bound to GLUT-i2 inhibitor, human, 5eqh | ||||||||
-6.6 | Chl | OH | Ser73 [2] | OG | Ser73 [2] | Trp412 [11] | ||
GLUT3 glucose transporter (SLC2), mutant, bound to D-glucose, outward facing form, human, 4zw9 | ||||||||
-6.0 | Chl | OH | Thr103 [3] | OG1 | Leu99 [3] | Val102 [3] | Thr103 [3] | |
-5.8 | Chl | OH | Thr441 [12] | OG1 | Gly437 [12] | Ile440 [12] | Thr441 [12] | |
GLUT3 glucose transporter (SLC2), mutant, bound to maltose, outward facing form, human, 4zwb | ||||||||
-5.9 | Chl | OH | Thr103 [3] | OG1 | Leu99 [3] | Thr103 [3] | ||
-5.9 | Chl | OH | Thr441 [12] | OG1 | Gly437 [12] | Ile440 [12] | Thr441 [12] | |
GLUT3 glucose transporter (SLC2), mutant, bound to D-glucose, outward facing form, human, 4zwc | ||||||||
-5.7 | Chl | OH | Thr103 [3] | OG1 | Leu99 [3] | Val102 [3] | Thr103 [3] | |
-5.5 | Chl | OH | Thr441 [12] | OG1 | Gly437 [12] | Phe438 [12] | Thr441 [12] | |
GLUT5 fructose transporter (SLC2), open-inward facing form, bovine, 4yb9 | ||||||||
-7.2 | Chl | OH | Thr452 [12] | OG1 | Ile448 [12] | Thr452 [12] | ||
-7 | Chl | OH | Ser422 [11] | OG | Val418 [11] | Ser422 [11] | ||
-6.4 | Chl | OH | Thr354 [9] | OG1 | Thr354 [9] | Ala355 [9] | ||
GLUT5 fructose transporter (SLC2), open-outward facing form [renumbered to matxh 4yb9], rat, 4ybq | ||||||||
-6.6 | Chl | OH | Ser422 [11] | OG | Val418 [11] | Ser422 [11] | ||
Erythrocyte Band 3 anion exchange (SLC4), human, 4yzf | ||||||||
None | ||||||||
DAT Dopamine transporter (SLC6), bound to antidepressant, Drosophila, 4m48 | ||||||||
None | ||||||||
DAT Dopamine transporter (SLC6),bound to dopamine, Drosophila, 4xp1 | ||||||||
-7.8 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Phe452 [9] | Ser453 [9] | |
-6.7 | Chl | OH | Thr535 [11] | OG1 | Thr535 [11] | |||
DAT Dopamine transporter (SLC6),bound to D-amphetamine, Drosophila, 4xp9 | ||||||||
-8.1 | Chl | OH | Ser412 [8] | OG | Ala408 [8] | Ser412 [8] | ||
DAT Dopamine transporter (SLC6),bound to methamphetamine, Drosophila, 4xp6 | ||||||||
-7.6 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Phe452 [9] | Ser453 [9] | |
-6.9 | Chl | OH | Thr535 [11] | OG1 | Leu484 [10] | Thr535 [11] | ||
DAT Dopamine transporter (SLC6),bound to 3,4-dichlorophenethylamine, Drosophila, 4xpa | ||||||||
-8 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Phe452 [9] | Ser453 [9] | |
DAT Dopamine transporter (SLC6),bound to cocaine, Drosophila, 4xp4 | ||||||||
-7.4 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Ser453 [9] | ||
DAT Dopamine transporter (SLC6),bound to cocaine analogue, Drosophila, 4xp5 | ||||||||
-6.9 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Phe452 [9] | Ser453 [9] | |
DAT Dopamine transporter (SLC6),mutant, bound to cocaine, Drosophila, 4xpb | ||||||||
-6.5 | Chl | OH | Ser566 [12] | OG | Cys562 [12] | Ile563 [12] | Ser566 [12] | |
-6.4 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Phe452 [9] | Ser453 [9] | |
DAT Dopamine transporter (SLC6),mutant, bound to RTI55, Drosophila, 4xpf | ||||||||
-7.4 | Chl | OH | Thr355 [7] | OG1 | Ile351 [7] | Ala354 [7] | Thr355 [7] | |
DAT Dopamine transporter (SLC6),mutant, bound to beta-CFT, Drosophila, 4xpg | ||||||||
-7.8 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Ser453 [9] | ||
DAT Dopamine transporter (SLC6),mutant, bound to 3,4-dichlorophenethylamine, Drosophila, 4xph | ||||||||
-7.7 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Ser453 [9] | ||
-6.9 | Chl | OH | Ser482 [10] | PG | Ser482 [10] | Ala564 [12] | Val568 [12] | |
DAT Dopamine transporter (SLC6),mutant with 3,4-dichlorophenethylamine, Drosophila, 4xpt | ||||||||
-7.5 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Phe452 [9] | Ser453 [9] | |
DAT Dopamine transporter (SLC6),bound to nisoxetine, Drosophila, 4xnu | ||||||||
-6.9 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Ser453 [9] | ||
DAT Dopamine transporter (SLC6),bound to reboxetine, Drosophila, 4xnx | ||||||||
-7.5 | Chl | OH | Ser453 [9] | OG | Ala449 [9] | Ser453 [9] | ||
Serotonin transporter (SLC6), bound to paroxetine, human, 5i6x | ||||||||
-8.5 | Chl | OH | Thr264 [4] | OG1 | Met260 [4] | Thr264 [4] | ||
-7.7 | Chl | OH | Thr503 [10] | OG1 | Pro499 [10] | Ala500 [10] | Thr503 [10] | |
-7.1 | Chl | OH | Thr433 [8] | OG1 | Leu429 [8] | Thr433 [8] | ||
-6.9 | Chl | OH | Ser584 [12] | O | Ile167 [3] | Tyr171 [3] | Ser584 [12] | |
Chl | OH | Tyr171 [3] | OH | |||||
Serotonin transporter (SLC6), mutant, bound to s-citalopram, human, 5i71 | ||||||||
-9.1 | Chl | OH | Phe263 [4] | O | Met260 [4] | Phe263 [4] | Thr264 [4] | |
Chl | OH | Thr264 [4] | OG1 | |||||
-7.5 | Chl | OH | Thr371 [7] | OG1 | Val367 [7] | Met370 [7] | Thr371 [7] | |
Serotonin transporter (SLC6), mutant, bound to s-citalopram at more sites, human, 5i73 | ||||||||
-9.2 | Chl | OH | Phe263 [4] | O | Met260 [4] | Phe263 [4] | Thr264 [4] | |
-8.0 | Chl | OH | Phe263 [4] | O | Met260 [4] | Phe263 [4] | Thr264 [4] | |
Chl | OH | Thr264 [4] | OG1 | |||||
-6.3 | Chl | OH | Phe548 [12] | O | Leu547 [12] | Phe548 [12] | ||
-6.2 | Chl | OH | Thr286 [5] | OG1 | Val283 [5] | Thr286 [5] | Phe287 [5] | |
Serotonin transporter (SLC6), mutant, bound to Br-citalopram, human, 5i74 | ||||||||
-8.5 | Chl | OH | Thr264 [4] | OG1 | Met260 [4] | Phe263 [4] | Thr264 [4] | |
-6.2 | Chl | OH | Phe548 [12] | O | Leu547 [12] | Phe548 [12] | Phe551 [12] | |
Serotonin transporter (SLC6), mutant, bound to citalopram and Br-citalopram, human, 5i75 | ||||||||
-9.1 | Chl | OH | Phe263 [4] | O | Met260 [4] | Phe263 [4] | Thr264 [4] | |
Chl | OH | Thr264 [4] | OG1 | |||||
-6.5 | Chl | OH | Thr286 [5] | OG1 | Val283 [5] | Thr286 [5] | Phe287 [5] | |
-6.3 | Chl | OH | Phe548 [12] | O | Leu547 [12] | Phe548 [12] | ||
Antiporters | ||||||||
Mitochondrial ADP/ATP Carrier with carboxyatractyloside, heart, bovine, 1okc | ||||||||
-6.7 | Chl | OH | Ala24 [1] | O | Ala24 [1] | |||
Mitochondrial ADP/ATP Carrier, with bound cardiolipins, heart, bovine, 2c3e | ||||||||
-7.3 | Chl | OH | Gly224 [5] | O | Gly224 [5] | Ser227 [5] | Tyr228 [5] | |
-6.5 | Arg234 [5] | NH2 | Chl | OH | Leu127 [3] | Ser179 [4] | Arg234 [5] | |
Chl | OH | Ser179 [4] | OG | |||||
-6.3 | Chl | OH | Ala24 [1] | O | Ala24 [1] | |||
ATP Binding Cassette (ABC) Transporters | ||||||||
P-Glycoprotein, nucleotide-free, inward-facing, mouse, 4q9h | ||||||||
-8.7 | His60 [1] | NE2 | Chl | OH | His60 [1] | Gln191 [3] | Gln942 [11] | |
-8.4 | Chl | OH | Tyr303 [5] | OH | Tyr303 [5] | Gln721 [7] | ||
-6.2 | Chl | OH | Thr765 [8] | OG1 | Cys713 [7] | Thr765 [8] | ||
P-Glycoprotein, ATP-bound, outward-facing, human, 6cOv | ||||||||
-7.4 | Chl | OH | Ser222 [4] | OG | Ser222 [4] | Gly226 [4] | ||
Ser222 [4] | OG | Chl | OH | |||||
-7.0 | Chl | OH | Thr845 [9] | OG1 | Ala841 [9] | Thr845 [9] | ||
-6.5 | Chl | OH | Ala987 [9] | O | Asn839 [9] | Ala987 [9] | ||
MRP-1 drug resistance protein, ATP-bound, outward facing, bovine, 6bhu | ||||||||
-9.6 | Chl | OH | Ser446 [3] | OG | Asp336 [1] | Ser446 [3] | Gln450 [3] | |
-7.6 | Chl | OH | Thr378 [2] | OG1 | Ala374 [2] | Thr378 [2] | Asn1207 [11] | |
ABCB10 mitochondrial ABC transporter with bound AMPPC, human, 4ayt | ||||||||
-8.7 | Chl | OH | Ser182 [1] | OG | Leu178 [1] | Ser182 [1] | Arg295 [3] | |
-8.7 | Chl | OH | Ser326 [4] | OG | Val322 [4] | Val325 [4] | Ser326 [4] | |
-8.0 | Chl | OH | Ser181 [1] | OG | ||||
Ser181 [1] | OG | Chl | OH | Ser181 [1] | Ser182 [1] | |||
-7.9 | Chl | OH | Ser301 [3] | OG | Gly297 [3] | Ser301 [3] | ||
ABCB10 mitochondrial ABC transporter with bound AMPPC, rod form, human, 4ayx | ||||||||
-8.6 | Trp440 [6] | NE1 | Chl | OH | Gln299 [3] | Trp440 [6] | ||
-8.6 | Chl | OH | Ser182 [1] | OG | Leu178 [1] | Ser181 [1] | Ser182 [1] | |
-8.6 | Chl | OH | Ser182 [1] | OG | Ser182 [1] | Gln299 [3] | ||
-8 | Chl | OH | Ser181 [1] | OG | Ser181 [1] | Gly225 [2] | ||
-7.7 | Chl | OH | Ser326 [4] | OG | Val322 [4] | Val325 [4] | Ser326 [4] | |
ABCB10 mitochondrial ABC transporter with bound AMPPC, plate form, human, 4ayw | ||||||||
-9.5 | Chl | OH | Ser181 [1] | OG | Ser181 [1] | Gly225 [2] | ||
-9.5 | Chl | OH | Ser326 [4] | OG | Val322 [4] | Val325 [4] | Ser326 [4] | |
-8.5 | Trp440 [6] | NE1 | Chl | OH | Ser185 [1] | Gln299 [3] | Trp440 [6] | |
ABCB10 mitochondrial ABC transporter, nucleotide-free rod form, human, 3zdq | ||||||||
-8.4 | Chl | OH | Ser181 [1] | OG | Ser181 [1] | Asn229 [2] | ||
Ser181 [1] | OG | Chl | OH | |||||
-8.3 | Chl | OH | Ser182 [1] | OG | Ser182 [1] | Gln299 [3] | ||
-8.3 | Trp440 [6] | NE1 | Chl | OH | Gln299 [3] | Trp440 [6] | ||
Cystic Fibrosis Transmembane conductance regulator (CFTR), Zebra fish, 5tsi | ||||||||
-9.2 | Chl | OH | Leu1114 [11] | O | Leu1114 [11] | Phe1115 [11] | ||
-8.1 | Chl | OH | Ser232 [4] | OG | Leu228 [4] | Ser232 [4] | ||
-7.7 | Chl | OH | Glu871 [7] | OE1 | Glu871 [7] | Tyr927 [8] | Leu934 [8] | |
Chl | OH | Tyr927 [8] | OH | |||||
-7.5 | Chl | OH | Phe313 [5] | O | Ala310 [5] | Phe313 [5] | Ser314 [5] | |
-6.9 | Arg941 [8] | NH1 | Chl | OH | Arg941 [8] | |||
-6.9 | Chl | OH | Thr133 [2] | OG1 | Gly129 [2] | Leu130 [2] | Thr133 [2] | |
-6.5 | Chl | OH | Thr1120 [11] | OG1 | Val1116 [11] | Phe1117 [11] | Thr1120 [11] |