Structure of PDB 6pjw Chain E Binding Site BS02

Receptor Information
>6pjw Chain E (length=191) Species: 2189 (Methanotorris igneus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNKVVVVTGVPGVGGTTLTQKTIEKLKEEGIEYKMVNFGTVMFEVAKEEG
LVEDRDQMRKLDPDTQKRIQKLAGRKIAEMAKESNVIVDTHSTVKTPKGY
LAGLPIWVLEELNPDIIVIVETSSDEILMRRLGDATRNRDIELTSDIDEH
QFMNRCAAMAYGVLTGATVKIIKNRDGLLDKAVEELISVLK
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain6pjw Chain E Residue 302 [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]
PDB6pjw Adenylate kinase from Methanococcus igneus - AMP bound form
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G13 G15 T17 T18 R131 N175 D177
Binding residue
(residue number reindexed from 1)		G12 G14 T16 T17 R130 N174 D176
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.4.3: adenylate kinase.
Gene Ontology
Molecular Function
GO:0004017 adenylate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0016310 phosphorylation
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6pjw, PDBe:6pjw, PDBj:6pjw
PDBsum6pjw
PubMed
UniProtP43408|KADA_METIG Adenylate kinase (Gene Name=adkA)

[Back to BioLiP]