Structure of PDB 2x2w Chain B Binding Site BS01

Receptor Information
>2x2w Chain B (length=258) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMNPLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGGCVVDE
LMKGLNLPVKKKNGLRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAV
GLFLGDGDSVKVTQLDEELGHVGLAQPGSPKLINSLLENGYLPVVSSIGV
TDEGQLMNVNADQAATALAATLGADLILLSDVSGILDGKGQRIAEMTAAK
AEQLIEQGIITDGMIVKVNAALDAARTLGRPVDIASWRHAEQLPALFNGM
PMGTRILA
Ligand information
Ligand IDX2W
InChIInChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1
InChIKeyFCVIHFVSXHOPSW-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(=O)NC(CCC(=O)OP(=O)(O)O)C(=O)O
CACTVS 3.352CC(=O)N[C@@H](CCC(=O)O[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C
CACTVS 3.352CC(=O)N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O
FormulaC7 H12 N O8 P
NameN-ACETYL-L-GLUTAMYL 5-PHOSPHATE;
N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE
ChEMBL
DrugBank
ZINC
PDB chain2x2w Chain B Residue 1259 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x2w Two crystal structures of Escherichia coli N-acetyl-L-glutamate kinase demonstrate the cycling between open and closed conformations.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K8 G43 G44 G45 R66 N158 A161
Binding residue
(residue number reindexed from 1)		K8 G43 G44 G45 R66 N158 A161
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K8 G11 G45 D162 K217
Catalytic site (residue number reindexed from 1) K8 G11 G45 D162 K217
Enzyme Commision number 2.7.2.8: acetylglutamate kinase.
Gene Ontology
Molecular Function
GO:0003991 acetylglutamate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0006974 DNA damage response
GO:0016310 phosphorylation
GO:0042450 arginine biosynthetic process via ornithine
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2x2w, PDBe:2x2w, PDBj:2x2w
PDBsum2x2w
PubMed20403363
UniProtP0A6C8|ARGB_ECOLI Acetylglutamate kinase (Gene Name=argB)

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