Structure of PDB 4pev Chain A Binding Site BS01

Receptor Information
>4pev Chain A (length=370) Species: 272557 (Aeropyrum pernix K1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PISVLVLFDVGGRGDLSFNDMAALGADRAAEELGVDVVFQTPQSLAVMES
VLDAASRSGEYDLIVLVGFLWQEPLEKVAPRYPEQKYALIDAATRERYDN
VASYLFREQEVASLVGIIAADIANNISKATGEEAKAGAVAGMDIPPLWRF
HIGYLYGVQYYNQAMGTDVEMVWTYTGRFDDPTLGKTTAEQMLQQGVRVF
YGVAGLTHVGMFNAVKEAAARGVIAFSIGQDASQEWYDPQTIIISGLKRV
DVAVYTAIKDVVEGRFRGGIVSLGLKEGGLGLSDEEIIRYFAEIAAETGQ
LPEGLTPEKVVEIVMSQREKWISNDGWRLVEELKQKIISGEIKFVTPQDH
DTYDSIIEELKAGNLEAALE
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain4pev Chain A Residue 501 [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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PDB4pev Crystal structure of ABC transporter system solute-binding proteins from Aeropyrum pernix K1
Resolution2.58 Å
Binding residue
(original residue number in PDB)		D85 F94 D167 F226 F255 G281 D307 K324
Binding residue
(residue number reindexed from 1)		D9 F18 D91 F150 F179 G205 D231 K248
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005886 plasma membrane

View graph for
Cellular Component
External links
PDB RCSB:4pev, PDBe:4pev, PDBj:4pev
PDBsum4pev
PubMed
UniProtQ9Y8P1

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