Structure of PDB 5och Chain F Binding Site BS01

Receptor Information
>5och Chain F (length=573) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNWKLFWQFLHPHLLVLGVAVVLALGAALVNVQIPLLLGQLVEVVAKFMT
ESQNLSTHLLILYGVQGLLTFGYLVLLSHVGERMAVDMRRALFSSLLRQD
ITFFDANKTGQLVSRLTTDVQEFKSSFKLVISQGLRSCTQVAGCLVSLSM
LSTRLTLLLMVATPALMGVGTLMGSGLRKLSRQCQEQIARAMGVADEALG
NVRTVRAFAMEQREEERYGAELEACRCRAEELGRGIALFQGLSNIAFNCM
VLGTLFIGGSLVAGQQLTGGDLMSFLVASQTVQRSMANLSVLFGQVVRGL
SAGARVFEYMALNPCIPLSGGCCVPKEQLRGSVTFQNVCFSYPCRPGFEV
LKDFTLTLPPGKIVALVGQSGGGKTTVASLLERFYDPTAGVVMLDGRDLR
TLDPSWLRGQVVGFISQEPVLFGTTIMENIRFGKLEASDEEVYTAAREAN
AHEFITSFPEGYNTVVGERGTTLSGGQKQRLAIARALIKQPTVLILDEAT
SALDAESERVVQEALDRASAGRTVLVIAHRLSTVRGAHCIVVMADGRVWE
AGTHEELLKKGGLYAELIRRQAL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5och Chain F Residue 1001 [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)		Y481 X483 V489 G510 G512 K513 T514 T515
Binding residue
(residue number reindexed from 1)		Y342 X344 V350 G371 G373 K374 T375 T376
Annotation score5
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

View graph for
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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