Structure of PDB 1p3j Chain A Binding Site BS01

Receptor Information
>1p3j Chain A (length=212) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAK
SYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEIL
EEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGIC
DKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQD
IQDVYADVKDLL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1p3j Chain A Residue 218 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p3j Structures and analysis of highly homologous psychrophilic, mesophilic, and thermophilic adenylate kinases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C130 C133 C150 D153
Binding residue
(residue number reindexed from 1)		C130 C133 C150 D153
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K13 R88 R127 R160 R171
Catalytic site (residue number reindexed from 1) K13 R88 R127 R160 R171
Enzyme Commision number 2.7.4.3: adenylate kinase.
Gene Ontology
Molecular Function
GO:0004017 adenylate kinase activity
GO:0004550 nucleoside diphosphate kinase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016301 kinase activity
GO:0016776 phosphotransferase activity, phosphate group as acceptor
GO:0019205 nucleobase-containing compound kinase activity
GO:0046872 metal ion binding
GO:0050145 nucleoside monophosphate kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009123 nucleoside monophosphate metabolic process
GO:0009132 nucleoside diphosphate metabolic process
GO:0009165 nucleotide biosynthetic process
GO:0016310 phosphorylation
GO:0044209 AMP salvage
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:1p3j, PDBe:1p3j, PDBj:1p3j
PDBsum1p3j
PubMed15100224
UniProtP16304|KAD_BACSU Adenylate kinase (Gene Name=adk)

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