Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T33901 | Target Info | |||
| Target Name | Niemann-Pick C1-like protein 1 (NPC1L1) | ||||
| Synonyms | Niemann-Pick C1 Like 1; NPC1L1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | NPC1L1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Vitamin E | Ligand Info | |||||
| Structure Description | Structure of human NPC1L1 | PDB:7N4U | ||||
| Method | Electron microscopy | Resolution | 3.34 Å | Mutation | No | [1] |
| PDB Sequence |
THTLLGQFFQ
342 GWGTWVASWP352 LTILVLSVIP362 VVALAAGLVF372 TELTTDPVEL382 WSAPNSQARS 392 EKAFHDQHFG402 PFFRTNQVIL412 TAPNRSSYRY422 DSLLLGPKNF432 SGILDLDLLL 442 ELLELQERLR452 HLQVWSPEAQ462 RNISLQDICY472 APLNPDNTSL482 YDCCINSLLQ 492 YFQNNRTLLL502 LTANQTLMGQ512 TSQVDWKDHF522 LYCANAPLTF532 KDGTALALSC 542 MADYGAPVFP552 FLAIGGYKGK562 DYSEAEALIM572 TFSLNNYPAG582 DPRLAQAKLW 592 EEAFLEEMRA602 FQRRMAGMFQ612 VTFMAERSLE622 DEINRTTAED632 LPIFATSYIV 642 IFLYISLALG652 SYSSWSRVMV662 DSKATLGLGG672 VAVVLGAVMA682 AMGFFSYLGI 692 RSSLVILQVV702 PFLVLSVGAD712 NIFIFVLEYQ722 RLPRRPGEPR732 EVHIGRALGR 742 VAPSMLLCSL752 SEAICFFLGA762 LTPMPAVRTF772 ALTSGLAVIL782 DFLLQMSAFV 792 ALLSLDSKRQ802 EASRLDVCCC812 VKPQELPPPG822 QGEGLLLGFF832 QKAYAPFLLH 842 WITRGVVLLL852 FLALFGVSLY862 SMCHISVGLD872 QELALPKDSY882 LLDYFLFLNR 892 YFEVGAPVYF902 VTTLGYNFSS912 EAGMNAICSS922 AGCNNFSFTQ932 KIQYATEFPE 942 QSYLAIPASS952 WVDDFIDWLT962 PSSCCRLYIS972 GPNKDKFCPS982 TVNSLNCLKN 992 CMSITMGSVR1002 PSVEQFHKYL1012 PWFLNDRPNI1022 KCPKGGLAAY1032 STSVNLTSDG 1042 QVLTSRFMAY1052 HKPLKNSQDY1062 TEALRAAREL1072 AANITADLRK1082 VPGTDPAFEV 1092 FPYTITNVFY1102 EQYLTILPEG1112 LFMLSLCLVP1122 TFAVSCLLLG1132 LDLRSGLLNL 1142 LSIVMILVDT1152 VGFMALWGIS1162 YNAVSLINLV1172 SAVGMSVEFV1182 SHITRSFAIS 1192 TKPTWLERAK1202 EATISMGSAV1212 FAGVAMTNLP1222 GILVLGLAKA1232 QLIQIFFFRL 1242 NLLITLLGLL1252 HGLVFLPVIL1262 SYVGPDVNPA1272 LALEQKRAEE1282 AVA |
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|
|
PRO379
4.291
LEU382
3.937
TRP383
3.368
PHE404
3.498
THR407
3.407
GLN409
3.695
MET616
4.253
GLU618
4.598
LEU621
3.690
ILE625
3.711
LEU696
4.061
LEU871
4.569
ASP872
4.615
GLN873
3.529
|
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| Ligand Name: Ezetimibe | Ligand Info | |||||
| Structure Description | Cryo_EM structure of delta N-NPC1L1-EZE | PDB:7DFZ | ||||
| Method | Electron microscopy | Resolution | 3.58 Å | Mutation | No | [2] |
| PDB Sequence |
STHTLLGQFF
341 QGWGTWVASW351 PLTILVLSVI361 PVVALAAGLV371 FTELTTDPVE381 LWSAPNSQAR 391 SEKAFHDQHF401 GPFFRTNQVI411 LTAPNRSSYR421 YDSLLLGPKN431 FSGILDLDLL 441 LELLELQERL451 RHLQVWSPEA461 QRNISLQDIC471 YAPLNPDNTS481 LYDCCINSLL 491 QYFQNNRTLL501 LLTANQTLMG511 QTSQVDWKDH521 FLYCANAPLT531 FKDGTALALS 541 CMADYGAPVF551 PFLAIGGYKG561 KDYSEAEALI571 MTFSLNNYPA581 GDPRLAQAKL 591 WEEAFLEEMR601 AFQRRMAGMF611 QVTFMAERSL621 EDEINRTTAE631 DLPIFATSYI 641 VIFLYISLGL670 GGVAVVLGAV680 MAAMGFFSYL690 GIRSSLVILQ700 VVPFLVLSVG 710 ADNIFIFVLE720 YQRLPRRPGE730 PREVHIGRAL740 GRVAPSMLLC750 SLSEAICFFL 760 GALTPMPAVR770 TFALTSGLAV780 ILDFLLQMSA790 FVALLSLDSK800 LLLGFFQKAY 836 APFLLHWITR846 GVVLLLFLAL856 FGVSLYSMCH866 ISVGLDQELA876 LPKDSYLLDY 886 FLFLNRYFEV896 GAPVYFVTTL906 GYNFSSEAGM916 NAICSSAGCN926 NFSFTQKIQY 936 ATEFPEQSYL946 AIPASSWVDD956 FIDWLTPSSC966 CRLYISGPNK976 DKFCPSTVNS 986 LNCLKNCMSI996 TMGSVRPSVE1006 QFHKYLPWFL1016 NDRPNIKCPK1026 GGLAAYSTSV 1036 NLTSDGQVLA1046 SRFMAYHKPL1056 KNSQDYTEAL1066 RAARELAANI1076 TADLRKVPGT 1086 DPAFEVFPYT1096 ITNVFYEQYL1106 TILPEGLFML1116 SLCLVPTFAV1126 SCLLLGLDLR 1136 SGLLNLLSIV1146 MILVDTVGFM1156 ALWGISYNAV1166 SLINLVSAVG1176 MSVEFVSHIT 1186 RSFAISTKPT1196 WLERAKEATI1206 SMGSAVFAGV1216 AMTNLPGILV1226 LGLAKAQLIQ 1236 IFFFRLNLLI1246 TLLGLLHGLV1256 FLPVILSYVG1266 PDVNPAL
|
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|
|
VAL380
3.229
LEU382
2.887
TRP383
2.772
LEU621
3.169
ILE625
3.053
SER695
4.920
VAL697
3.985
ILE698
2.706
VAL701
4.357
ALA768
3.024
VAL769
4.185
PHE772
3.394
LEU871
3.049
|
|||||
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Cryo_EM structure of delta N-NPC1L1-CLR | PDB:7DFW | ||||
| Method | Electron microscopy | Resolution | 2.69 Å | Mutation | No | [2] |
| PDB Sequence |
STHTLLGQFF
341 QGWGTWVASW351 PLTILVLSVI361 PVVALAAGLV371 FTELTTDPVE381 LWSAPNSQAR 391 SEKAFHDQHF401 GPFFRTNQVI411 LTAPNRSSYR421 YDSLLLGPKN431 FSGILDLDLL 441 LELLELQERL451 RHLQVWSPEA461 QRNISLQDIC471 YAPLNPDNTS481 LYDCCINSLL 491 QYFQNNRTLL501 LLTANQTLMG511 QTSQVDWKDH521 FLYCANAPLT531 FKDGTALALS 541 CMADYGAPVF551 PFLAIGGYKG561 KDYSEAEALI571 MTFSLNNYPA581 GDPRLAQAKL 591 WEEAFLEEMR601 AFQRRMAGMF611 QVTFMAERSL621 EDEINRTTAE631 DLPIFATSYI 641 VIFLYISLAL651 GSYSSWSRVM661 VDSKATLGLG671 GVAVVLGAVM681 AAMGFFSYLG 691 IRSSLVILQV701 VPFLVLSVGA711 DNIFIFVLEY721 QRLPRRPGEP731 REVHIGRALG 741 RVAPSMLLCS751 LSEAICFFLG761 ALTPMPAVRT771 FALTSGLAVI781 LDFLLQMSAF 791 VALLSLDSKR801 QEASRLDVCC811 CVKPQELPPP821 GQGEGLLLGF831 FQKAYAPFLL 841 HWITRGVVLL851 LFLALFGVSL861 YSMCHISVGL871 DQELALPKDS881 YLLDYFLFLN 891 RYFEVGAPVY901 FVTTLGYNFS911 SEAGMNAICS921 SAGCNNFSFT931 QKIQYATEFP 941 EQSYLAIPAS951 SWVDDFIDWL961 TPSSCCRLYI971 SGPNKDKFCP981 STVNSLNCLK 991 NCMSITMGSV1001 RPSVEQFHKY1011 LPWFLNDRPN1021 IKCPKGGLAA1031 YSTSVNLTSD 1041 GQVLASRFMA1051 YHKPLKNSQD1061 YTEALRAARE1071 LAANITADLR1081 KVPGTDPAFE 1091 VFPYTITNVF1101 YEQYLTILPE1111 GLFMLSLCLV1121 PTFAVSCLLL1131 GLDLRSGLLN 1141 LLSIVMILVD1151 TVGFMALWGI1161 SYNAVSLINL1171 VSAVGMSVEF1181 VSHITRSFAI 1191 STKPTWLERA1201 KEATISMGSA1211 VFAGVAMTNL1221 PGILVLGLAK1231 AQLIQIFFFR 1241 LNLLITLLGL1251 LHGLVFLPVI1261 LSYVGPDVNP1271 ALALEQKRAE1281 EAVAAVM |
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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:336 or .A:337 or .A:340 or .A:341 or .A:344 or .A:347 or .A:355 or .A:358 or .A:359 or .A:362 or .A:363 or .A:370 or .A:374 or .A:375 or .A:376 or .A:633 or .A:637 or .A:640 or .A:646 or .A:649 or .A:650 or .A:654 or .A:657 or .A:677 or .A:681 or .A:684 or .A:699 or .A:703 or .A:704 or .A:748 or .A:751 or .A:752 or .A:755 or .A:759 or .A:760 or .A:762 or .A:763 or .A:770 or .A:774 or .A:780 or .A:781 or .A:782 or .A:784 or .A:785 or .A:786 or .A:789 or .A:827 or .A:1155 or .A:1158 or .A:1159 or .A:1244 or .A:1245 or .A:1248 or .A:1249 or .A:1252; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU336
4.983
LEU337
3.101
PHE340
2.940
PHE341
4.197
TRP344
3.459
TRP347
3.676
ILE355
4.623
LEU358
3.370
SER359
4.366
PRO362
3.656
VAL363
3.386
LEU370
3.856
GLU374
3.373
LEU375
4.959
THR376
4.169
LEU633
4.516
ALA637
4.654
TYR640
3.513
TYR646
4.324
LEU649
2.728
ALA650
4.432
TYR654
2.437
TRP657
4.571
LEU677
3.525
MET681
4.569
MET684
3.717
LEU699
3.387
PRO703
3.917
PHE704
3.472
LEU748
3.253
SER751
3.286
LEU752
2.906
ALA755
4.195
PHE759
3.076
LEU760
4.840
ALA762
3.726
LEU763
3.631
ARG770
3.877
LEU774
4.253
VAL780
4.578
ILE781
3.237
LEU782
4.465
PHE784
2.948
LEU785
3.738
LEU786
3.898
SER789
4.816
LEU827
3.026
PHE1155
3.471
LEU1158
3.709
TRP1159
3.485
LEU1244
4.651
LEU1245
3.386
LEU1248
3.496
LEU1249
3.830
LEU1252
4.208
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phosphatidylserine | Ligand Info | |||||
| Structure Description | Cryo_EM structure of delta N-NPC1L1-CLR | PDB:7DFW | ||||
| Method | Electron microscopy | Resolution | 2.69 Å | Mutation | No | [2] |
| PDB Sequence |
STHTLLGQFF
341 QGWGTWVASW351 PLTILVLSVI361 PVVALAAGLV371 FTELTTDPVE381 LWSAPNSQAR 391 SEKAFHDQHF401 GPFFRTNQVI411 LTAPNRSSYR421 YDSLLLGPKN431 FSGILDLDLL 441 LELLELQERL451 RHLQVWSPEA461 QRNISLQDIC471 YAPLNPDNTS481 LYDCCINSLL 491 QYFQNNRTLL501 LLTANQTLMG511 QTSQVDWKDH521 FLYCANAPLT531 FKDGTALALS 541 CMADYGAPVF551 PFLAIGGYKG561 KDYSEAEALI571 MTFSLNNYPA581 GDPRLAQAKL 591 WEEAFLEEMR601 AFQRRMAGMF611 QVTFMAERSL621 EDEINRTTAE631 DLPIFATSYI 641 VIFLYISLAL651 GSYSSWSRVM661 VDSKATLGLG671 GVAVVLGAVM681 AAMGFFSYLG 691 IRSSLVILQV701 VPFLVLSVGA711 DNIFIFVLEY721 QRLPRRPGEP731 REVHIGRALG 741 RVAPSMLLCS751 LSEAICFFLG761 ALTPMPAVRT771 FALTSGLAVI781 LDFLLQMSAF 791 VALLSLDSKR801 QEASRLDVCC811 CVKPQELPPP821 GQGEGLLLGF831 FQKAYAPFLL 841 HWITRGVVLL851 LFLALFGVSL861 YSMCHISVGL871 DQELALPKDS881 YLLDYFLFLN 891 RYFEVGAPVY901 FVTTLGYNFS911 SEAGMNAICS921 SAGCNNFSFT931 QKIQYATEFP 941 EQSYLAIPAS951 SWVDDFIDWL961 TPSSCCRLYI971 SGPNKDKFCP981 STVNSLNCLK 991 NCMSITMGSV1001 RPSVEQFHKY1011 LPWFLNDRPN1021 IKCPKGGLAA1031 YSTSVNLTSD 1041 GQVLASRFMA1051 YHKPLKNSQD1061 YTEALRAARE1071 LAANITADLR1081 KVPGTDPAFE 1091 VFPYTITNVF1101 YEQYLTILPE1111 GLFMLSLCLV1121 PTFAVSCLLL1131 GLDLRSGLLN 1141 LLSIVMILVD1151 TVGFMALWGI1161 SYNAVSLINL1171 VSAVGMSVEF1181 VSHITRSFAI 1191 STKPTWLERA1201 KEATISMGSA1211 VFAGVAMTNL1221 PGILVLGLAK1231 AQLIQIFFFR 1241 LNLLITLLGL1251 LHGLVFLPVI1261 LSYVGPDVNP1271 ALALEQKRAE1281 EAVAAVM |
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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 .P5S or .P5S2 or .P5S3 or :3P5S;style chemicals stick;color identity;select .A:646 or .A:649 or .A:650 or .A:651 or .A:652 or .A:653 or .A:654 or .A:719 or .A:722 or .A:723 or .A:825 or .A:826 or .A:827 or .A:828 or .A:829 or .A:832 or .A:833 or .A:836 or .A:839 or .A:849 or .A:1213 or .A:1214 or .A:1218 or .A:1221 or .A:1251 or .A:1252 or .A:1255 or .A:1256; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR646
2.634
LEU649
3.549
ALA650
3.237
LEU651
3.739
GLY652
2.601
SER653
3.694
TYR654
3.658
LEU719
3.312
GLN722
2.803
ARG723
4.956
GLU825
4.898
GLY826
3.385
LEU827
2.458
LEU828
2.606
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of dimeric human NPC1L1 provide insight into mechanisms for cholesterol absorption. Sci Adv. 2021 Aug 18;7(34):eabh3997. | ||||
| REF 2 | Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake. Sci Adv. 2021 Jul 16;7(29):eabg3188. | ||||
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