Structure of PDB 2jfq Chain B Binding Site BS01

Receptor Information
>2jfq Chain B (length=265) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKPIGVIDSGVGGLTVAKEIMRQLPNETIYYLGDIGRCPYGPRPGEQVK
QYTVEIARKLMEFDIKMLVIACNTATAVALEYLQKTLSISVIGVIEPGAR
TAIMTTRNQNVLVLGTEGTIKSEAYRTHIKRINPHVEVHGVACPGFVPLV
EQMRYSDPTITSIVIHQTLKRWRNSESDTVILGCTHYPLLYKPIYDYFGG
KKTVISSGLETAREVSALLTFSNEHASYTEHPDHRFFATGDTTHITNIIK
EWLNLSVNVERISVN
Ligand information
Ligand IDDGL
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyWHUUTDBJXJRKMK-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(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
NameD-GLUTAMIC ACID
ChEMBLCHEMBL76232
DrugBankDB02517
ZINCZINC000000895124
PDB chain2jfq Chain A Residue 1267 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2jfq Exploitation of Structural and Regulatory Diversity in Glutamate Racemases
Resolution2.15 Å
Binding residue
(original residue number in PDB)		V264 N265
Binding residue
(residue number reindexed from 1)		V264 N265
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D9 S10 C72 E151 C184 H186
Catalytic site (residue number reindexed from 1) D9 S10 C72 E151 C184 H186
Enzyme Commision number 5.1.1.3: glutamate racemase.
Gene Ontology
Molecular Function
GO:0008881 glutamate racemase activity
GO:0016853 isomerase activity
GO:0016855 racemase and epimerase activity, acting on amino acids and derivatives
GO:0036361 racemase activity, acting on amino acids and derivatives
GO:0042802 identical protein binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2jfq, PDBe:2jfq, PDBj:2jfq
PDBsum2jfq
PubMed17568739
UniProtQ6GHT5|MURI_STAAR Glutamate racemase (Gene Name=murI)

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