Structure of PDB 7ehl Chain B Binding Site BS03

Receptor Information
>7ehl Chain B (length=563) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNWKLFWQFLHPHLLVLGVAVVLALGAALVNVQIPLLLGQLVEVVAKYTR
DMTESQNLSTHLLILYGVQGLLTFGYLVLLSHVGERMAVDMRRALFSSLL
RQDITFFDANKTGQLVSRLTTDVQEFKSSFKLVISQGLRSCTQVAGCLVS
LSMLTRLTLLLMVATPALMGVGTLMGSGLRKLSRQCQEQIARAMGVADEA
LGNVRTVRAFAMEQREEERYGAELEACRCRAEELGRGIALFQGLSNIAFN
CMVLGTLFIGGSLVAGQLTGGDLMSFLVASQTVQRSMANLSVLFGQVVRG
LSAGARVFEYMALNPCIPLSGRGSVTFQNVCFSYPCRPGFEVLKDFTLTL
PPGKIVALVGQSGGGKTTVASLLERFYDPTAGVVMLDGRDLRTLDPSWLR
GQVVGFISQEPVLFGTTIMENIRFGKLEASDEEVYTAAREANAHEFITSF
PEGYNTVGERGTTLSGGQKQRLAIARALIKQPTVLILDEATSALDAESER
VVQEALDRASAGRTVLVIAHRLSTVRGAHCIVVMADGRVWEAGTHEELLK
KGGLYAELIRRQA
Ligand information
Ligand IDCLR
InChIInChI=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
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7ehl Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ehl Cryo-EM structure of human ABCB8 transporter in nucleotide binding state.
ResolutionN/A
Binding residue
(original residue number in PDB)		L294 L305 G397 L411 F414
Binding residue
(residue number reindexed from 1)		L157 L168 G260 L273 F276
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015440 ABC-type peptide transporter activity
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006813 potassium ion transport
GO:0006884 cell volume homeostasis
GO:0015833 peptide transport
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:0140141 mitochondrial potassium ion transmembrane transport
Cellular Component
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0062157 mitochondrial ATP-gated potassium channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ehl, PDBe:7ehl, PDBj:7ehl
PDBsum7ehl
PubMed33872987
UniProtQ9NUT2|MITOS_HUMAN Mitochondrial potassium channel ATP-binding subunit (Gene Name=ABCB8)

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