Structure of PDB 3t7b Chain B Binding Site BS01

Receptor Information
>3t7b Chain B (length=258) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMNPLVIKLGGVLLDSEEALERLFTALVTYREKHERPLVIMHGGGCLVDE
LMKRLALPVVKKNGLRVTPADQIDIITGALAGTANKTLLAWAVKHQINAV
GLCLADGNTVTVTLLDAELGHVGKAQPGSAALVQTLLAAGYMPIISSIGI
TVEGQLMNVNADQAATALAATLGADLILLSDVSGILDGKGQRIAEMTAQK
AEQLIAQGIITDGMVVKVNAALDAARSLGRPVDIASWRHSEQLPALFNGV
PIGTRISV
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain3t7b Chain B Residue 258 [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]
PDB3t7b Crystal Structure of N-acetyl-L-glutamate kinase from Yersinia pestis
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R65 N157 N159 A160
Binding residue
(residue number reindexed from 1)		R66 N158 N160 A161
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K7 G10 G44 D161 K216
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: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:3t7b, PDBe:3t7b, PDBj:3t7b
PDBsum3t7b
PubMed
UniProtQ8ZA87|ARGB_YERPE Acetylglutamate kinase (Gene Name=argB)

[Back to BioLiP]