Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T25258 | Target Info | |||
| Target Name | Multidrug resistance protein 1 (ABCB1) | ||||
| Synonyms | PGY1; P-glycoprotein 1; P-gp; Pgp; MDR1; CD243 antigen; CD243; ATP-binding cassette sub-family B member 1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ABCB1 | ||||
| Biochemical Class | ABC transporter | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ||||
| InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | ||||
| InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N | ||||
| PubChem Compound ID | 5997 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7A69 Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and vincristine | ||||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
PTVSVFSMFR
41 YSNWLDKLYM51 VVGTLAAIIH61 GAGLPLMMLV71 FGEMTDIFAN81 AGNLFMNLEE 109 DMTRYAYYYS119 GIGAGVLVAA129 YIQVSFWCLA139 AGRQIHKIRK149 QFFHAIMRQE 159 IGWFDVHDVG169 ELNTRLTDDV179 SKINEGIGDK189 IGMFFQSMAT199 FFTGFIVGFT 209 RGWKLTLVIL219 AISPVLGLSA229 AVWAKILSSF239 TDKELLAYAK249 AGAVAEEVLA 259 AIRTVIAFGG269 QKKELERYNK279 NLEEAKRIGI289 KKAITANISI299 GAAFLLIYAS 309 YALAFWYGTT319 LVLSGEYSIG329 QVLTVFFSVL339 IGAFSVGQAS349 PSIEAFANAR 359 GAAYEIFKII369 DNKPSIDSYS379 KSGHKPDNIK389 GNLEFRNVHF399 SYPSRKEVKI 409 LKGLNLKVQS419 GQTVALVGNS429 GCGKSTTVQL439 MQRLYDPTEG449 MVSVDGQDIR 459 TINVRFLREI469 IGVVSQEPVL479 FATTIAENIR489 YGRENVTMDE499 IEKAVKEANA 509 YDFIMKLPHK519 FDTLVGERGA529 QLSGGQKQRI539 AIARALVRNP549 KILLLDEATS 559 ALDTESEAVV569 QVALDKARKG579 RTTIVIAHRL589 STVRNADVIA599 GFDDGVIVEK 609 GNHDELMKEK619 GIYFKLVTMQ629 TPVSFWRIMK702 LNLTEWPYFV712 VGVFCAIING 722 GLQPAFAIIF732 SKIIGVFTRI742 DDPETKRQNS752 NLFSLLFLAL762 GIISFITFFL 772 QGFTFGKAGE782 ILTKRLRYMV792 FRSMLRQDVS802 WFDDPKNTTG812 ALTTRLANDA 822 AQVKGAIGSR832 LAVITQNIAN842 LGTGIIISFI852 YGWQLTLLLL862 AIVPIIAIAG 872 VVEMKMLSGQ882 ALKDKKELEG892 AGKIATEAIE902 NFRTVVSLTQ912 EQKFEHMYAQ 922 SLQVPYRNSL932 RKAHIFGITF942 SFTQAMMYFS952 YAGCFRFGAY962 LVAHKLMSFE 972 DVLLVFSAVV982 FGAMAVGQVS992 SFAPDYAKAK1002 ISAAHIIMII1012 EKTPLIDSYS 1022 TEGLMPNTLE1032 GNVTFGEVVF1042 NYPTRPDIPV1052 LQGLSLEVKK1062 GQTLALVGSS 1072 GCGKSTVVQL1082 LERFYDPLAG1092 KVLLDGKEIK1102 RLNVQWLRAH1112 LGIVSQEPIL 1122 FDCSIAENIA1132 YGDNSRVVSQ1142 EEIVRAAKEA1152 NIHAFIESLP1162 NKYSTKVGDK 1172 GTQLSGGQKQ1182 RIAIARALVR1192 QPHILLLDEA1202 TSALDTESEK1212 VVQEALDKAR 1222 EGRTCIVIAH1232 RLSTIQNADL1242 IVVFQNGRVK1252 EHGTHQQLLA1262 QKGIYFSMVS 1272 VQAG
|
|||||
|
|
ILE59
4.374
ALA63
3.996
LEU67
4.114
LEU70
4.198
GLU108
4.219
THR112
4.190
ALA115
4.497
TYR116
3.356
SER119
4.119
ALA198
4.054
PHE201
3.651
THR202
3.668
ILE205
3.954
VAL206
3.546
THR209
3.428
ARG210
4.344
TRP212
4.343
LYS213
3.395
LEU216
3.525
VAL217
4.052
LEU219
3.238
ALA220
3.314
ILE221
3.422
PRO223
4.090
VAL224
4.197
LEU305
4.073
ALA308
3.796
SER309
4.256
ALA311
3.923
LEU312
3.759
TRP315
3.490
TYR316
3.702
ASN753
3.955
SER756
3.227
LEU757
3.739
LEU760
3.750
VAL835
4.343
ILE836
4.425
ASN839
3.321
ILE840
3.922
LEU843
3.084
GLY844
3.791
ILE847
4.030
ILE848
3.615
LEU860
3.711
LEU862
3.216
ILE864
4.384
VAL865
3.750
PRO866
4.510
ALA869
3.309
ILE870
4.388
VAL873
4.381
PHE944
4.402
MET948
4.415
PHE951
3.753
ALA954
4.645
GLY955
3.378
CYS956
4.930
ARG958
3.583
PHE959
4.123
TYR962
3.834
VAL988
4.276
SER992
3.240
|
|||||
| PDB ID: 7A6F Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and zosuquidar | ||||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
PTVSVFSMFR
41 YSNWLDKLYM51 VVGTLAAIIH61 GAGLPLMMLV71 FGEMTDIFAN81 AGNLFMNLEE 109 DMTRYAYYYS119 GIGAGVLVAA129 YIQVSFWCLA139 AGRQIHKIRK149 QFFHAIMRQE 159 IGWFDVHDVG169 ELNTRLTDDV179 SKINEGIGDK189 IGMFFQSMAT199 FFTGFIVGFT 209 RGWKLTLVIL219 AISPVLGLSA229 AVWAKILSSF239 TDKELLAYAK249 AGAVAEEVLA 259 AIRTVIAFGG269 QKKELERYNK279 NLEEAKRIGI289 KKAITANISI299 GAAFLLIYAS 309 YALAFWYGTT319 LVLSGEYSIG329 QVLTVFFSVL339 IGAFSVGQAS349 PSIEAFANAR 359 GAAYEIFKII369 DNKPSIDSYS379 KSGHKPDNIK389 GNLEFRNVHF399 SYPSRKEVKI 409 LKGLNLKVQS419 GQTVALVGNS429 GCGKSTTVQL439 MQRLYDPTEG449 MVSVDGQDIR 459 TINVRFLREI469 IGVVSQEPVL479 FATTIAENIR489 YGRENVTMDE499 IEKAVKEANA 509 YDFIMKLPHK519 FDTLVGERGA529 QLSGGQKQRI539 AIARALVRNP549 KILLLDEATS 559 ALDTESEAVV569 QVALDKARKG579 RTTIVIAHRL589 STVRNADVIA599 GFDDGVIVEK 609 GNHDELMKEK619 GIYFKLVTMQ629 TPVSFWRIMK702 LNLTEWPYFV712 VGVFCAIING 722 GLQPAFAIIF732 SKIIGVFTRI742 DDPETKRQNS752 NLFSLLFLAL762 GIISFITFFL 772 QGFTFGKAGE782 ILTKRLRYMV792 FRSMLRQDVS802 WFDDPKNTTG812 ALTTRLANDA 822 AQVKGAIGSR832 LAVITQNIAN842 LGTGIIISFI852 YGWQLTLLLL862 AIVPIIAIAG 872 VVEMKMLSGQ882 ALKDKKELEG892 AGKIATEAIE902 NFRTVVSLTQ912 EQKFEHMYAQ 922 SLQVPYRNSL932 RKAHIFGITF942 SFTQAMMYFS952 YAGCFRFGAY962 LVAHKLMSFE 972 DVLLVFSAVV982 FGAMAVGQVS992 SFAPDYAKAK1002 ISAAHIIMII1012 EKTPLIDSYS 1022 TEGLMPNTLE1032 GNVTFGEVVF1042 NYPTRPDIPV1052 LQGLSLEVKK1062 GQTLALVGSS 1072 GCGKSTVVQL1082 LERFYDPLAG1092 KVLLDGKEIK1102 RLNVQWLRAH1112 LGIVSQEPIL 1122 FDCSIAENIA1132 YGDNSRVVSQ1142 EEIVRAAKEA1152 NIHAFIESLP1162 NKYSTKVGDK 1172 GTQLSGGQKQ1182 RIAIARALVR1192 QPHILLLDEA1202 TSALDTESEK1212 VVQEALDKAR 1222 EGRTCIVIAH1232 RLSTIQNADL1242 IVVFQNGRVK1252 EHGTHQQLLA1262 QKGIYFSMVS 1272 VQAG
|
|||||
|
|
THR112
3.110
ALA115
3.846
TYR116
4.297
SER119
4.729
VAL217
4.416
ALA220
3.926
ILE221
3.707
VAL224
3.645
ALA308
3.660
SER309
4.429
ALA311
3.935
LEU312
3.693
TRP315
3.394
TYR316
4.199
ILE719
3.551
ILE720
4.921
GLY723
3.775
ALA727
3.637
ILE730
3.588
LYS734
4.277
ASN753
3.989
LEU754
4.890
PHE755
4.257
SER756
3.355
LEU757
3.639
LEU758
3.719
LEU760
3.659
VAL835
4.753
ILE836
4.237
ASN839
3.100
ILE840
3.536
ALA841
4.429
LEU843
3.494
GLY844
4.183
THR845
4.079
ILE847
3.906
ILE848
4.544
ILE849
4.783
PHE851
4.836
TRP855
4.643
GLN856
3.581
LEU859
3.424
LEU860
3.482
LEU862
3.908
ALA863
3.605
ILE864
3.664
VAL865
4.332
PRO866
4.047
ALA869
3.779
ILE870
3.214
VAL873
3.893
MET948
4.307
PHE951
3.814
ALA954
4.189
GLY955
3.553
CYS956
4.182
ARG958
3.346
PHE959
3.832
TYR962
4.451
VAL988
4.286
SER992
3.756
|
|||||
| PDB ID: 6QEX Nanodisc reconstituted human ABCB1 in complex with UIC2 fab and taxol | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | Yes | [2] |
| PDB Sequence |
PTVSVFSMFR
41 YSNWLDKLYM51 VVGTLAAIIH61 GAGLPLMMLV71 FGEMTDIFAN81 AGNLEDLMSN 91 ITNRSDINDT101 GFFMNLEEDM111 TRYAYYYSGI121 GAGVLVAAYI131 QVSFWCLAAG 141 RQIHKIRKQF151 FHAIMRQEIG161 WFDVHDVGEL171 NTRLTDDVSK181 INEGIGDKIG 191 MFFQSMATFF201 TGFIVGFTRG211 WKLTLVILAI221 SPVLGLSAAV231 WAKILSSFTD 241 KELLAYAKAG251 AVAEEVLAAI261 RTVIAFGGQK271 KELERYNKNL281 EEAKRIGIKK 291 AITANISIGA301 AFLLIYASYA311 LAFWYGTTLV321 LSGEYSIGQV331 LTVFFSVLIG 341 AFSVGQASPS351 IEAFANARGA361 AYEIFKIIDN371 KPSIDSYSKS381 GHKPDNIKGN 391 LEFRNVHFSY401 PSRKEVKILK411 GLNLKVQSGQ421 TVALVGNSGC431 GKSTTVQLMQ 441 RLYDPTEGMV451 SVDGQDIRTI461 NVRFLREIIG471 VVSQEPVLFA481 TTIAENIRYG 491 RENVTMDEIE501 KAVKEANAYD511 FIMKLPHKFD521 TLVGERGAQL531 SGGQKQRIAI 541 ARALVRNPKI551 LLLDEATSAL561 DTESEAVVQV571 ALDKARKGRT581 TIVIAHRLST 591 VRNADVIAGF601 DDGVIVEKGN611 HDELMKEKGI621 YFKLVTMQTP694 VSFWRIMKLN 704 LTEWPYFVVG714 VFCAIINGGL724 QPAFAIIFSK734 IIGVFTRIDD744 PETKRQNSNL 754 FSLLFLALGI764 ISFITFFLQG774 FTFGKAGEIL784 TKRLRYMVFR794 SMLRQDVSWF 804 DDPKNTTGAL814 TTRLANDAAQ824 VKGAIGSRLA834 VITQNIANLG844 TGIIISFIYG 854 WQLTLLLLAI864 VPIIAIAGVV874 EMKMLSGQAL884 KDKKELEGAG894 KIATEAIENF 904 RTVVSLTQEQ914 KFEHMYAQSL924 QVPYRNSLRK934 AHIFGITFSF944 TQAMMYFSYA 954 GCFRFGAYLV964 AHKLMSFEDV974 LLVFSAVVFG984 AMAVGQVSSF994 APDYAKAKIS 1004 AAHIIMIIEK1014 TPLIDSYSTE1024 GLMPNTLEGN1034 VTFGEVVFNY1044 PTRPDIPVLQ 1054 GLSLEVKKGQ1064 TLALVGSSGC1074 GKSTVVQLLE1084 RFYDPLAGKV1094 LLDGKEIKRL 1104 NVQWLRAHLG1114 IVSQEPILFD1124 CSIAENIAYG1134 DNSRVVSQEE1144 IVRAAKEANI 1154 HAFIESLPNK1164 YSTKVGDKGT1174 QLSGGQKQRI1184 AIARALVRQP1194 HILLLDEATS 1204 ALDTESEKVV1214 QEALDKAREG1224 RTCIVIAHRL1234 STIQNADLIV1244 VFQNGRVKEH 1254 GTHQQLLAQK1264 GIYFSMVSVQ1274 AG
|
|||||
|
|
TRP45
4.793
LEU46
3.698
LEU49
3.720
TYR50
3.959
VAL53
3.897
LEU56
3.810
LEU67
3.786
LEU70
4.836
VAL71
4.900
GLU74
3.164
THR112
3.663
ALA115
3.560
TYR116
3.580
TYR117
3.610
SER119
3.226
GLY120
3.555
ILE121
3.718
ALA123
4.084
LEU126
4.508
VAL127
4.745
TYR130
3.581
ILE131
4.425
PHE135
3.425
LEU138
4.292
ARG210
4.931
TRP212
4.764
LYS213
4.218
LEU216
3.898
VAL217
4.070
ALA220
3.417
ILE221
3.855
LEU305
3.714
ALA308
3.756
ALA311
3.945
LEU312
3.598
TRP315
3.510
TYR316
3.692
ILE719
4.385
GLY723
3.342
LEU724
4.969
ALA727
3.693
ILE730
4.142
ILE731
4.556
ASN753
3.346
PHE755
3.974
SER756
3.575
LEU757
3.672
LEU758
4.500
LEU760
3.790
ARG832
4.656
ILE836
4.424
ASN839
3.332
ILE840
3.676
ALA841
4.735
LEU843
3.715
GLY844
4.070
THR845
3.384
ILE847
4.204
ILE848
3.733
ILE849
3.874
PHE851
3.613
ILE852
3.549
TYR853
3.348
TRP855
3.308
GLN856
3.728
LEU859
3.635
LEU860
4.203
LEU862
3.808
ALA863
3.763
ILE864
3.788
VAL865
3.928
PRO866
3.672
ALA869
3.740
ILE870
4.148
VAL873
4.173
HIS936
3.517
PHE944
4.477
MET948
3.766
PHE951
3.289
SER952
3.994
ALA954
4.373
GLY955
3.443
ARG958
3.362
PHE959
3.434
TYR962
4.102
VAL988
4.169
SER992
4.129
|
|||||
| PDB ID: 7A6C Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and elacridar | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
PTVSVFSMFR
41 YSNWLDKLYM51 VVGTLAAIIH61 GAGLPLMMLV71 FGEMTDIFAN81 AGNLFMNLEE 109 DMTRYAYYYS119 GIGAGVLVAA129 YIQVSFWCLA139 AGRQIHKIRK149 QFFHAIMRQE 159 IGWFDVHDVG169 ELNTRLTDDV179 SKINEGIGDK189 IGMFFQSMAT199 FFTGFIVGFT 209 RGWKLTLVIL219 AISPVLGLSA229 AVWAKILSSF239 TDKELLAYAK249 AGAVAEEVLA 259 AIRTVIAFGG269 QKKELERYNK279 NLEEAKRIGI289 KKAITANISI299 GAAFLLIYAS 309 YALAFWYGTT319 LVLSGEYSIG329 QVLTVFFSVL339 IGAFSVGQAS349 PSIEAFANAR 359 GAAYEIFKII369 DNKPSIDSYS379 KSGHKPDNIK389 GNLEFRNVHF399 SYPSRKEVKI 409 LKGLNLKVQS419 GQTVALVGNS429 GCGKSTTVQL439 MQRLYDPTEG449 MVSVDGQDIR 459 TINVRFLREI469 IGVVSQEPVL479 FATTIAENIR489 YGRENVTMDE499 IEKAVKEANA 509 YDFIMKLPHK519 FDTLVGERGA529 QLSGGQKQRI539 AIARALVRNP549 KILLLDEATS 559 ALDTESEAVV569 QVALDKARKG579 RTTIVIAHRL589 STVRNADVIA599 GFDDGVIVEK 609 GNHDELMKEK619 GIYFKLVTMQ629 TPVSFWRIMK702 LNLTEWPYFV712 VGVFCAIING 722 GLQPAFAIIF732 SKIIGVFTRI742 DDPETKRQNS752 NLFSLLFLAL762 GIISFITFFL 772 QGFTFGKAGE782 ILTKRLRYMV792 FRSMLRQDVS802 WFDDPKNTTG812 ALTTRLANDA 822 AQVKGAIGSR832 LAVITQNIAN842 LGTGIIISFI852 YGWQLTLLLL862 AIVPIIAIAG 872 VVEMKMLSGQ882 ALKDKKELEG892 AGKIATEAIE902 NFRTVVSLTQ912 EQKFEHMYAQ 922 SLQVPYRNSL932 RKAHIFGITF942 SFTQAMMYFS952 YAGCFRFGAY962 LVAHKLMSFE 972 DVLLVFSAVV982 FGAMAVGQVS992 SFAPDYAKAK1002 ISAAHIIMII1012 EKTPLIDSYS 1022 TEGLMPNTLE1032 GNVTFGEVVF1042 NYPTRPDIPV1052 LQGLSLEVKK1062 GQTLALVGSS 1072 GCGKSTVVQL1082 LERFYDPLAG1092 KVLLDGKEIK1102 RLNVQWLRAH1112 LGIVSQEPIL 1122 FDCSIAENIA1132 YGDNSRVVSQ1142 EEIVRAAKEA1152 NIHAFIESLP1162 NKYSTKVGDK 1172 GTQLSGGQKQ1182 RIAIARALVR1192 QPHILLLDEA1202 TSALDTESEK1212 VVQEALDKAR 1222 EGRTCIVIAH1232 RLSTIQNADL1242 IVVFQNGRVK1252 EHGTHQQLLA1262 QKGIYFSMVS 1272 VQAG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CLR or .CLR2 or .CLR3 or :3CLR;style chemicals stick;color identity;select .A:112 or .A:115 or .A:116 or .A:119 or .A:212 or .A:213 or .A:216 or .A:217 or .A:220 or .A:221 or .A:224 or .A:305 or .A:308 or .A:309 or .A:311 or .A:312 or .A:315 or .A:316 or .A:753 or .A:756 or .A:757 or .A:760 or .A:832 or .A:835 or .A:836 or .A:839 or .A:840 or .A:843 or .A:844 or .A:847 or .A:856 or .A:859 or .A:860 or .A:863 or .A:864 or .A:865 or .A:866 or .A:869 or .A:870 or .A:873 or .A:944 or .A:948 or .A:951 or .A:954 or .A:955 or .A:958 or .A:959 or .A:962 or .A:988 or .A:992; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR112
4.821
ALA115
4.106
TYR116
4.212
SER119
4.411
TRP212
4.725
LYS213
4.432
LEU216
4.370
VAL217
3.651
ALA220
3.043
ILE221
3.400
VAL224
3.453
LEU305
3.695
ALA308
2.792
SER309
4.045
ALA311
4.000
LEU312
3.579
TRP315
3.467
TYR316
4.316
ASN753
3.722
SER756
3.218
LEU757
3.357
LEU760
3.964
ARG832
4.002
VAL835
4.957
ILE836
3.474
ASN839
3.153
ILE840
3.415
LEU843
4.018
GLY844
4.253
ILE847
3.633
GLN856
3.319
LEU859
3.273
LEU860
3.431
ALA863
2.867
ILE864
3.352
VAL865
3.876
PRO866
3.984
ALA869
3.650
ILE870
3.933
VAL873
3.889
PHE944
4.386
MET948
4.627
PHE951
3.682
ALA954
4.632
GLY955
4.240
ARG958
3.136
PHE959
3.611
TYR962
4.142
VAL988
4.317
SER992
3.447
|
|||||
| PDB ID: 7A6E Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and tariquidar | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
PTVSVFSMFR
41 YSNWLDKLYM51 VVGTLAAIIH61 GAGLPLMMLV71 FGEMTDIFAN81 AGNLFMNLEE 109 DMTRYAYYYS119 GIGAGVLVAA129 YIQVSFWCLA139 AGRQIHKIRK149 QFFHAIMRQE 159 IGWFDVHDVG169 ELNTRLTDDV179 SKINEGIGDK189 IGMFFQSMAT199 FFTGFIVGFT 209 RGWKLTLVIL219 AISPVLGLSA229 AVWAKILSSF239 TDKELLAYAK249 AGAVAEEVLA 259 AIRTVIAFGG269 QKKELERYNK279 NLEEAKRIGI289 KKAITANISI299 GAAFLLIYAS 309 YALAFWYGTT319 LVLSGEYSIG329 QVLTVFFSVL339 IGAFSVGQAS349 PSIEAFANAR 359 GAAYEIFKII369 DNKPSIDSYS379 KSGHKPDNIK389 GNLEFRNVHF399 SYPSRKEVKI 409 LKGLNLKVQS419 GQTVALVGNS429 GCGKSTTVQL439 MQRLYDPTEG449 MVSVDGQDIR 459 TINVRFLREI469 IGVVSQEPVL479 FATTIAENIR489 YGRENVTMDE499 IEKAVKEANA 509 YDFIMKLPHK519 FDTLVGERGA529 QLSGGQKQRI539 AIARALVRNP549 KILLLDEATS 559 ALDTESEAVV569 QVALDKARKG579 RTTIVIAHRL589 STVRNADVIA599 GFDDGVIVEK 609 GNHDELMKEK619 GIYFKLVTMQ629 TPVSFWRIMK702 LNLTEWPYFV712 VGVFCAIING 722 GLQPAFAIIF732 SKIIGVFTRI742 DDPETKRQNS752 NLFSLLFLAL762 GIISFITFFL 772 QGFTFGKAGE782 ILTKRLRYMV792 FRSMLRQDVS802 WFDDPKNTTG812 ALTTRLANDA 822 AQVKGAIGSR832 LAVITQNIAN842 LGTGIIISFI852 YGWQLTLLLL862 AIVPIIAIAG 872 VVEMKMLSGQ882 ALKDKKELEG892 AGKIATEAIE902 NFRTVVSLTQ912 EQKFEHMYAQ 922 SLQVPYRNSL932 RKAHIFGITF942 SFTQAMMYFS952 YAGCFRFGAY962 LVAHKLMSFE 972 DVLLVFSAVV982 FGAMAVGQVS992 SFAPDYAKAK1002 ISAAHIIMII1012 EKTPLIDSYS 1022 TEGLMPNTLE1032 GNVTFGEVVF1042 NYPTRPDIPV1052 LQGLSLEVKK1062 GQTLALVGSS 1072 GCGKSTVVQL1082 LERFYDPLAG1092 KVLLDGKEIK1102 RLNVQWLRAH1112 LGIVSQEPIL 1122 FDCSIAENIA1132 YGDNSRVVSQ1142 EEIVRAAKEA1152 NIHAFIESLP1162 NKYSTKVGDK 1172 GTQLSGGQKQ1182 RIAIARALVR1192 QPHILLLDEA1202 TSALDTESEK1212 VVQEALDKAR 1222 EGRTCIVIAH1232 RLSTIQNADL1242 IVVFQNGRVK1252 EHGTHQQLLA1262 QKGIYFSMVS 1272 VQAG
|
|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CLR or .CLR2 or .CLR3 or :3CLR;style chemicals stick;color identity;select .A:59 or .A:60 or .A:63 or .A:64 or .A:67 or .A:70 or .A:71 or .A:74 or .A:112 or .A:115 or .A:116 or .A:117 or .A:119 or .A:120 or .A:121 or .A:124 or .A:125 or .A:126 or .A:198 or .A:201 or .A:202 or .A:205 or .A:206 or .A:209 or .A:210 or .A:213 or .A:216 or .A:217 or .A:220 or .A:221 or .A:224 or .A:305 or .A:308 or .A:309 or .A:311 or .A:312 or .A:315 or .A:316 or .A:753 or .A:756 or .A:757 or .A:760 or .A:832 or .A:835 or .A:836 or .A:839 or .A:840 or .A:843 or .A:844 or .A:847 or .A:848 or .A:855 or .A:856 or .A:859 or .A:860 or .A:862 or .A:863 or .A:864 or .A:865 or .A:866 or .A:869 or .A:870 or .A:873 or .A:944 or .A:951 or .A:954 or .A:955 or .A:958 or .A:959 or .A:962 or .A:988 or .A:989 or .A:992; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE59
4.021
ILE60
4.316
ALA63
3.605
GLY64
4.475
LEU67
3.388
LEU70
3.434
VAL71
3.718
GLU74
2.211
THR112
3.682
ALA115
3.707
TYR116
3.865
TYR117
3.152
SER119
3.246
GLY120
4.732
ILE121
3.808
GLY124
4.599
VAL125
4.545
LEU126
4.917
ALA198
4.908
PHE201
4.393
THR202
3.403
ILE205
4.069
VAL206
4.155
THR209
3.241
ARG210
4.981
LYS213
3.632
LEU216
3.451
VAL217
3.434
ALA220
3.246
ILE221
3.460
VAL224
3.683
LEU305
3.991
ALA308
3.485
SER309
3.963
ALA311
4.102
LEU312
3.868
TRP315
3.508
TYR316
3.712
ASN753
3.594
SER756
3.761
LEU757
3.400
LEU760
3.940
ARG832
4.050
VAL835
4.518
ILE836
3.998
ASN839
2.964
ILE840
3.653
LEU843
3.647
GLY844
3.526
ILE847
3.589
ILE848
3.416
TRP855
4.753
GLN856
3.972
LEU859
3.993
LEU860
3.665
LEU862
3.929
ALA863
3.465
ILE864
4.918
VAL865
3.816
PRO866
4.214
ALA869
3.697
ILE870
4.054
VAL873
3.543
PHE944
3.797
PHE951
3.954
ALA954
4.834
GLY955
3.244
ARG958
2.935
PHE959
3.345
TYR962
3.735
VAL988
4.008
GLY989
4.936
SER992
3.642
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| PDB ID: 7A65 Nanodisc reconstituted, drug-free human ABCB1 in complex with MRK16 Fab | ||||||
| Method | Electron microscopy | Resolution | 3.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
PTVSVFSMFR
41 YSNWLDKLYM51 VVGTLAAIIH61 GAGLPLMMLV71 FGEMTDIFAN81 AGNLFMNLEE 109 DMTRYAYYYS119 GIGAGVLVAA129 YIQVSFWCLA139 AGRQIHKIRK149 QFFHAIMRQE 159 IGWFDVHDVG169 ELNTRLTDDV179 SKINEGIGDK189 IGMFFQSMAT199 FFTGFIVGFT 209 RGWKLTLVIL219 AISPVLGLSA229 AVWAKILSSF239 TDKELLAYAK249 AGAVAEEVLA 259 AIRTVIAFGG269 QKKELERYNK279 NLEEAKRIGI289 KKAITANISI299 GAAFLLIYAS 309 YALAFWYGTT319 LVLSGEYSIG329 QVLTVFFSVL339 IGAFSVGQAS349 PSIEAFANAR 359 GAAYEIFKII369 DNKPSIDSYS379 KSGHKPDNIK389 GNLEFRNVHF399 SYPSRKEVKI 409 LKGLNLKVQS419 GQTVALVGNS429 GCGKSTTVQL439 MQRLYDPTEG449 MVSVDGQDIR 459 TINVRFLREI469 IGVVSQEPVL479 FATTIAENIR489 YGRENVTMDE499 IEKAVKEANA 509 YDFIMKLPHK519 FDTLVGERGA529 QLSGGQKQRI539 AIARALVRNP549 KILLLDEATS 559 ALDTESEAVV569 QVALDKARKG579 RTTIVIAHRL589 STVRNADVIA599 GFDDGVIVEK 609 GNHDELMKEK619 GIYFKLVTMQ629 TPVSFWRIMK702 LNLTEWPYFV712 VGVFCAIING 722 GLQPAFAIIF732 SKIIGVFTRI742 DDPETKRQNS752 NLFSLLFLAL762 GIISFITFFL 772 QGFTFGKAGE782 ILTKRLRYMV792 FRSMLRQDVS802 WFDDPKNTTG812 ALTTRLANDA 822 AQVKGAIGSR832 LAVITQNIAN842 LGTGIIISFI852 YGWQLTLLLL862 AIVPIIAIAG 872 VVEMKMLSGQ882 ALKDKKELEG892 AGKIATEAIE902 NFRTVVSLTQ912 EQKFEHMYAQ 922 SLQVPYRNSL932 RKAHIFGITF942 SFTQAMMYFS952 YAGCFRFGAY962 LVAHKLMSFE 972 DVLLVFSAVV982 FGAMAVGQVS992 SFAPDYAKAK1002 ISAAHIIMII1012 EKTPLIDSYS 1022 TEGLMPNTLE1032 GNVTFGEVVF1042 NYPTRPDIPV1052 LQGLSLEVKK1062 GQTLALVGSS 1072 GCGKSTVVQL1082 LERFYDPLAG1092 KVLLDGKEIK1102 RLNVQWLRAH1112 LGIVSQEPIL 1122 FDCSIAENIA1132 YGDNSRVVSQ1142 EEIVRAAKEA1152 NIHAFIESLP1162 NKYSTKVGDK 1172 GTQLSGGQKQ1182 RIAIARALVR1192 QPHILLLDEA1202 TSALDTESEK1212 VVQEALDKAR 1222 EGRTCIVIAH1232 RLSTIQNADL1242 IVVFQNGRVK1252 EHGTHQQLLA1262 QKGIYFSMVS 1272 VQAG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CLR or .CLR2 or .CLR3 or :3CLR;style chemicals stick;color identity;select .A:212 or .A:213 or .A:216 or .A:217 or .A:220 or .A:221 or .A:224 or .A:305 or .A:308 or .A:309 or .A:311 or .A:312 or .A:315 or .A:316 or .A:723 or .A:727 or .A:730 or .A:734 or .A:753 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:760 or .A:843 or .A:845 or .A:847 or .A:860 or .A:862 or .A:863 or .A:864 or .A:865 or .A:866 or .A:869 or .A:870 or .A:873 or .A:955 or .A:958 or .A:959 or .A:962 or .A:988 or .A:989 or .A:992; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP212
4.649
LYS213
3.888
LEU216
3.835
VAL217
3.883
ALA220
3.451
ILE221
3.726
VAL224
4.822
LEU305
3.818
ALA308
3.705
SER309
4.922
ALA311
3.923
LEU312
3.928
TRP315
3.496
TYR316
3.677
GLY723
3.742
ALA727
3.920
ILE730
3.267
LYS734
3.588
ASN753
3.946
LEU754
4.000
PHE755
4.332
SER756
3.550
LEU757
3.531
LEU758
3.382
LEU760
3.358
LEU843
3.293
THR845
3.691
ILE847
4.545
LEU860
4.058
LEU862
3.996
ALA863
4.812
ILE864
2.781
VAL865
3.705
PRO866
4.409
ALA869
3.041
ILE870
4.018
VAL873
3.884
GLY955
4.813
ARG958
4.072
PHE959
3.330
TYR962
3.608
VAL988
4.139
GLY989
4.486
SER992
3.733
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM structures reveal distinct mechanisms of inhibition of the human multidrug transporter ABCB1. Proc Natl Acad Sci U S A. 2020 Oct 20;117(42):26245-26253. | ||||
| REF 2 | Structural insight into substrate and inhibitor discrimination by human P-glycoprotein. Science. 2019 Feb 15;363(6428):753-756. | ||||
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