Structure of PDB 5och Chain E Binding Site BS02

Receptor Information
>5och Chain E (length=576) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNWKLFWQFLHPHLLVLGVAVVLALGAALVNVQIPLLLGQLVEVVAKMTE
SQNLSTHLLILYGVQGLLTFGYLVLLSHVGERMAVDMRRALFSSLLRQDI
TFFDANKTGQLVSRLTTDVQEFKSSFKLVISQGLRSCTQVAGCLVSLSML
STRLTLLLMVATPALMGVGTLMGSGLRKLSRQCQEQIARAMGVADEALGN
VRTVRAFAMEQREEERYGAELEACRCRAEELGRGIALFQGLSNIAFNCMV
LGTLFIGGSLVAGQQLTGGDLMSFLVASQTVQRSMANLSVLFGQVVRGLS
AGARVFEYMALNPCIPLSGGCCVPKEQLRGSVTFQNVCFSYPCRPGFEVL
KDFTLTLPPGKIVALVGQSGGGKTTVASLLERFYDPTAGVVMLDGRDLRT
LDPSWLRGQVVGFISQEPVLFGTTIMENIRFGKLEASDEEVYTAAREANA
HEFITSFPEGYNTVVGERGTTLSGGQKQRLAIARALIKQPTVLILDEATS
ALDAESERVVQEALDRASAGRTVLVIAHRLSTVRGAHCIVVMADGRVWEA
GTHEELLKKGGLYAELIRRQALDAAE
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain5och Chain E Residue 1003 [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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PDB5och The crystal structure of human ABCB8 in an outward-facing state
Resolution3.4 Å
Binding residue
(original residue number in PDB)		P303 F378 S382 N383 F386 M425 L428 V435
Binding residue
(residue number reindexed from 1)		P163 F238 S242 N243 F246 M285 L288 V295
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5och, PDBe:5och, PDBj:5och
PDBsum5och
PubMed
UniProtQ9NUT2|MITOS_HUMAN Mitochondrial potassium channel ATP-binding subunit (Gene Name=ABCB8)

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