Structure of PDB 3bk7 Chain A Binding Site BS04

Receptor Information
>3bk7 Chain A (length=593) Species: 29292 (Pyrococcus abyssi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVRKMRIAVIDYDKCNPDKCGHFLCERVCPVNRMGGEAIIIDEENYKPII
QEASCTGCGICVHKCPFNAISIVNLPEQLDEDCVHRYGVNAFVLYRLPIV
KDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNEL
QNYFERLKNGEIRPVVKPQYVDLLPKAVKGKVRELLKKVDEVGKFEEVVK
ELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQR
LKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVVYGEPGVYGIFSKP
KGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVDVERETLVEYPRLV
KDYGSFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVE
WDLTVAYKPQYIKAEYEGTVYELLSKIDSSKLNSNFYKTELLKPLGIIDL
YDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAI
RHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGEPGRHGRALPPMGMREG
MNRFLASVGITFRRDPDSGRPRANKEGSVKDREQKARGEYYYA
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 chain3bk7 Chain A Residue 599 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3bk7 X-ray Structure of the Complete ABC Enzyme ABCE1 from Pyrococcus abyssi
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y87 F92 N112 G113 T114 G115 K116 T117 T118 G292
Binding residue
(residue number reindexed from 1)		Y87 F92 N112 G113 T114 G115 K116 T117 T118 G292
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005524 ATP binding
GO:0016491 oxidoreductase activity
GO:0016887 ATP hydrolysis activity
GO:0043024 ribosomal small subunit binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006413 translational initiation
GO:0006415 translational termination

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3bk7, PDBe:3bk7, PDBj:3bk7
PDBsum3bk7
PubMed18160405
UniProtQ9UZA4

[Back to BioLiP]