Structure of PDB 2gzm Chain A Binding Site BS01

Receptor Information
>2gzm Chain A (length=266) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLNRAIGVIDSGVGGLTVAKELIRQLPKERIIYLGDTARCPYGPRSREEV
RQFTWEMTEHLLDLNIKMLVIACNTATAVVLEEMQKQLPIPVVGVIHPGS
RTALKVTNTYHVGIIGTIGTVKSGAYEEALKSINNRVMVESLACPPFVEL
VESGNFESEMAYEVVRETLQPLKNTDIDTLILGCTHYPILGPVIKQVMGD
KVQLISSGDETAREVSTILYHSKMLNEGEEQSDHLFLTTGKIGLFKEIAS
KWFGQPIENVKHIHLE
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 chain2gzm Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gzm Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design.
Resolution1.99 Å
Binding residue
(original residue number in PDB)
S12 P42 Y43 G44 C74 N75 T76 C185 T186 H187
Binding residue
(residue number reindexed from 1)
S11 P41 Y42 G43 C73 N74 T75 C184 T185 H186
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D11 S12 C74 T76 T118 E153 C185 H187
Catalytic site (residue number reindexed from 1) D10 S11 C73 T75 T117 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
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:2gzm, PDBe:2gzm, PDBj:2gzm
PDBsum2gzm
PubMed17610893
UniProtA0A6L8PKK6

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