Structure of PDB 2xb4 Chain A Binding Site BS01

Receptor Information
>2xb4 Chain A (length=223) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNILIFGPNGSGKGTQGNLVKDKYSLAHIESGGIFREHIGGGTELGKKAK
EFIDRGDLVPDDITIPMVLETLESKGKDGWLLDGFPRNTVQAQKLFEALQ
EKGMKINFVIEILLPREVAKNRIMGRRICKNNPNHPNNIFIDAIKPNGDV
CRVCGGALSARADDQDEGAINKRHDIYYNTVDGTLAAAYYYKNMAAKEGF
VYIELDGEGSIDSIKDTLLAQLA
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 chain2xb4 Chain A Residue 1224 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xb4 Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C129 H135 C151 C154
Binding residue
(residue number reindexed from 1)		C129 H135 C151 C154
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K13 R87 R126 R161 R173
Catalytic site (residue number reindexed from 1) K13 R87 R126 R161 R173
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:0016301 kinase activity
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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Biological Process
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Cellular Component
External links
PDB RCSB:2xb4, PDBe:2xb4, PDBj:2xb4
PDBsum2xb4
PubMed20821240
UniProtC7U112

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