Structure of PDB 2jfp Chain B Binding Site BS02

Receptor Information
>2jfp Chain B (length=267) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNQEAIGLIDSGVGGLTVLKEALKQLPNERLIYLGDTARCPYGPRPAEQV
VQFTWEMADFLLKKRIKMLVIACNTATAVALEEIKAALPIPVVGVILPGA
RAAVKVTKNNKIGVIGTLGTIKSASYEIAIKSKAPAIEVTSLACPKFVPI
VESNQYRSSVAKKIVAETLQALQLKGLDTLILGCTHYPLLRPVIQNVMGS
HVTLIDSGAETVGEVSMLLDYFDIAHTPEAPTQPHEFYTTGSAKMFEEIA
SSWLGIENLKAQQIHLG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2jfp Chain B Residue 1271 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jfp Exploitation of Structural and Regulatory Diversity in Glutamate Racemases
Resolution1.98 Å
Binding residue
(original residue number in PDB)		G44 P45 T118 L119 P146
Binding residue
(residue number reindexed from 1)		G43 P44 T117 L118 P145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D11 S12 C74 E153 C185 H187
Catalytic site (residue number reindexed from 1) D10 S11 C73 E152 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:2jfp, PDBe:2jfp, PDBj:2jfp
PDBsum2jfp
PubMed17568739
UniProtQ836J0|MURI_ENTFA Glutamate racemase (Gene Name=murI)

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