Structure of PDB 7a65 Chain A

Receptor sequence

>7a65A (length=1164) Species: 9606 (Homo sapiens)

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

• PDB: 7a65 Cryo-EM structures reveal distinct mechanisms of inhibition of the human multidrug transporter ABCB1.
• Chain: A
• Resolution: 3.9 Å

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	CLR	A	I730 L758	I618 L646	BindingDB: IC50=8200nM
BS02	CLR	A	I864 F959	I752 F847	BindingDB: IC50=8200nM
BS03	CLR	A	A308 W315 L757 L760	A259 W266 L645 L648	BindingDB: IC50=8200nM
BS04	CLR	A	L216 A220	L167 A171	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

External links

• PDB: RCSB:7a65, PDBe:7a65, PDBj:7a65
• PDBsum: 7a65
• PubMed: 33020312
• UniProt: P08183|MDR1_HUMAN ATP-dependent translocase ABCB1 (Gene Name=ABCB1)