Structure of PDB 2ggh Chain C Binding Site BS02

Receptor Information
>2ggh Chain C (length=370) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMFKIEAAEIVVARLPLKFRFETSFGVQTHKVVPLLILHGEGVQGVAEGT
MEARPMYREETICGALCLLRGTFLPAILGQTFANPEAVSDALGSYRGNRM
ARAMVEMAAWDLWARTLGVPLGTLLGGHKEQVEVGVSLGIQADEQATVDL
VRRHVEQGYRRIKLKIKPGWDVQPVRATREAFPDIRLTVDANSAYTLADA
GRLRQLDEYDLTYIEQPLAWDDLVDHAELARRIRTPLCLDESVASASDAR
KALALGAGGVINLKVARVGGHAESRRVHDVAQSFGAPVWCGGMLESGIGR
AHNIHLSTLSNFRLPGDTSSASRYWERDLIQEPLEAVDGLMPVPQGPGTG
VTLDREFLATVTEAQEEHRA
Ligand information
Ligand IDNLQ
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1
InChIKeyKSMRODHGGIIXDV-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(CCC(=O)N)C(=O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCC(=O)N)C(=O)O
CACTVS 3.341CC(=O)N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341CC(=O)N[C@@H](CCC(N)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)O)CCC(=O)N)C
FormulaC7 H12 N2 O4
NameN~2~-ACETYL-L-GLUTAMINE;
N-ACETYL-L-GLUTAMINE
ChEMBLCHEMBL1234757
DrugBankDB04167
ZINCZINC000002019886
PDB chain2ggh Chain C Residue 1376 [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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PDB2ggh Structure-Stability-Activity Relationship in Covalently Cross-linked N-Carbamoyl d-Amino acid Amidohydrolase and N-Acylamino acid Racemase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F26 G297 M298 L299
Binding residue
(residue number reindexed from 1)		F21 G292 M293 L294
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) F26 Y100 S142 K168 K170 R191 T193 D195 N197 E220 D245 E246 S247 K269 C295 G296 G297 M298 G321 D322 T323
Catalytic site (residue number reindexed from 1) F21 Y95 S137 K163 K165 R186 T188 D190 N192 E215 D240 E241 S242 K264 C290 G291 G292 M293 G316 D317 T318
Enzyme Commision number 4.2.1.113: o-succinylbenzoate synthase.
5.1.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0043748 O-succinylbenzoate synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0009234 menaquinone biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2ggh, PDBe:2ggh, PDBj:2ggh
PDBsum2ggh
PubMed16650857
UniProtQ9RYA6|NSAR_DEIRA N-succinylamino acid racemase (Gene Name=DR_0044)

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