Structure of PDB 1nks Chain C Binding Site BS01
Receptor Information
>1nks Chain C (length=194) Species:
2285
(Sulfolobus acidocaldarius) [
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MKIGIVTGIPGVGKSTVLAKVKEILDNQGINNKIINYGDFMLATALKLGY
AKDRDEMRKLSVEKQKKLQIDAAKGIAEEARAGGEGYLFIDTHAVIRTPS
GYLPGLPSYVITEINPSVIFLLEADPKIILSRQKRDTTRNRNDYSDESVI
LETINFARYAATASAVLAGSTVKVIVNVEGDPSIAANEIIRSMK
Ligand information
Ligand ID
AMP
InChI
InChI=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
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
1nks Chain C Residue 195 [
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Receptor-Ligand Complex Structure
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PDB
1nks
The structure of a trimeric archaeal adenylate kinase.
Resolution
2.57 Å
Binding residue
(original residue number in PDB)
N36 Y37 G38 M41 R54 R58 Q69 T92 H93 I96 G105 R139
Binding residue
(residue number reindexed from 1)
N36 Y37 G38 M41 R54 R58 Q69 T92 H93 I96 G105 R139
Annotation score
5
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
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1nks
,
PDBe:1nks
,
PDBj:1nks
PDBsum
1nks
PubMed
9733648
UniProt
P35028
|KADA_SULAC Adenylate kinase (Gene Name=adkA)
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