Structure of PDB 7a6e Chain A

Receptor sequence
>7a6eA (length=1164) Species: 9606 (Homo sapiens) [Search protein sequence]
PTVSVFSMFRYSNWLDKLYMVVGTLAAIIHGAGLPLMMLVFGEMTDIFAN
AGNLFMNLEEDMTRYAYYYSGIGAGVLVAAYIQVSFWCLAAGRQIHKIRK
QFFHAIMRQEIGWFDVHDVGELNTRLTDDVSKINEGIGDKIGMFFQSMAT
FFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFTDKELLAYAK
AGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISI
GAAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQAS
PSIEAFANARGAAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHF
SYPSRKEVKILKGLNLKVQSGQTVALVGNSGCGKSTTVQLMQRLYDPTEG
MVSVDGQDIRTINVRFLREIIGVVSQEPVLFATTIAENIRYGRENVTMDE
IEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIAIARALVRNP
KILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIA
GFDDGVIVEKGNHDELMKEKGIYFKLVTMQTPVSFWRIMKLNLTEWPYFV
VGVFCAIINGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLAL
GIISFITFFLQGFTFGKAGEILTKRLRYMVFRSMLRQDVSWFDDPKNTTG
ALTTRLANDAAQVKGAIGSRLAVITQNIANLGTGIIISFIYGWQLTLLLL
AIVPIIAIAGVVEMKMLSGQALKDKKELEGAGKIATEAIENFRTVVSLTQ
EQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFGAY
LVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMII
EKTPLIDSYSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKK
GQTLALVGSSGCGKSTVVQLLERFYDPLAGKVLLDGKEIKRLNVQWLRAH
LGIVSQEPILFDCSIAENIAYGDNSRVVSQEEIVRAAKEANIHAFIESLP
NKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATSALDTESEK
VVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQLLA
QKGIYFSMVSVQAG
3D structure
PDB7a6e Cryo-EM structures reveal distinct mechanisms of inhibition of the human multidrug transporter ABCB1.
ChainA
Resolution3.6 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 7.6.2.1: P-type phospholipid transporter.
7.6.2.2: ABC-type xenobiotic transporter.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 R1H A L65 F72 F336 Q725 F728 E875 M949 Y953 F978 S979 F983 M986 L34 F41 F287 Q613 F616 E763 M837 Y841 F866 S867 F871 M874 BindingDB: IC50=223nM,EC50=68nM
BS02 R1H A W232 F303 I306 Y307 Y310 Q347 Q990 W183 F254 I257 Y258 Y261 Q298 Q878 BindingDB: IC50=223nM,EC50=68nM
BS03 CLR A G955 R958 G843 R846 BindingDB: IC50=8200nM
BS04 CLR A A308 L757 A259 L645 BindingDB: IC50=8200nM
BS05 CLR A L216 V217 A220 L167 V168 A171 BindingDB: IC50=8200nM
BS06 CLR A I221 W315 Y316 I172 W266 Y267 BindingDB: IC50=8200nM
BS07 CLR A N839 L843 G844 I848 N727 L731 G732 I736 BindingDB: IC50=8200nM
BS08 CLR A E74 Y117 I121 E43 Y68 I72 BindingDB: IC50=8200nM
BS09 CLR A T202 T209 T153 T160 BindingDB: IC50=8200nM
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008559 ABC-type xenobiotic transporter activity
GO:0015562 efflux transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
GO:0022857 transmembrane transporter activity
GO:0031625 ubiquitin protein ligase binding
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0042910 xenobiotic transmembrane transporter activity
GO:0046943 carboxylic acid transmembrane transporter activity
GO:0090554 phosphatidylcholine floppase activity
GO:0090555 phosphatidylethanolamine flippase activity
GO:0099038 ceramide floppase activity
GO:0140326 ATPase-coupled intramembrane lipid transporter activity
GO:0140328 floppase activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0000086 G2/M transition of mitotic cell cycle
GO:0006805 xenobiotic metabolic process
GO:0006869 lipid transport
GO:0009410 response to xenobiotic stimulus
GO:0045332 phospholipid translocation
GO:0046865 terpenoid transport
GO:0055085 transmembrane transport
GO:0070633 transepithelial transport
GO:0072089 stem cell proliferation
GO:0099040 ceramide translocation
GO:0140115 export across plasma membrane
GO:0150104 transport across blood-brain barrier
GO:1905039 carboxylic acid transmembrane transport
GO:1990961 xenobiotic detoxification by transmembrane export across the plasma membrane
GO:1990962 xenobiotic transport across blood-brain barrier
GO:2001225 regulation of chloride transport
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0070062 extracellular exosome
GO:0098591 external side of apical plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7a6e, PDBe:7a6e, PDBj:7a6e
PDBsum7a6e
PubMed33020312
UniProtP08183|MDR1_HUMAN ATP-dependent translocase ABCB1 (Gene Name=ABCB1)

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