Structure of PDB 3b8g Chain A Binding Site BS02

Receptor Information
>3b8g Chain A (length=424) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSFVAHFREAAPYIRQMRGTTLVAGIDGRLLEGGTLNKLAADIGLLSQLG
IRLVLIHGAYHFLDRLAAAQGRTPHYCRGLRVTDETSLGQAQQFAGTVRS
RFEAALCGSSVPLVSGNFLTARPIGVIDGTDMEYAGVIRKTDTAALRFQL
DAGNIVWMPPLGHSYGGKTFNLDMVQAAASVAVSLQAEKLVYLTLSDGIS
RPDGTLAETLSAQEAQSLAEHAASETRRLISSAVAALEGGVHRVQILNGA
ADGSLLQELFTRNGIGTSIAKEAFVSIRQAHSGDIPHIAALIRPLEEQGI
LLHRSREYLENHISEFSILEHDGNLYGCAALKTFAEADCGEIACLAVSPQ
AQDGGYGERLLAHIIDKARGIGISRLFALSTNTGEWFAERGFQTASEDEL
PETRRKDYRSNGRNSHILVRRLHR
Ligand information
Ligand IDNLG
InChIInChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyRFMMMVDNIPUKGG-YFKPBYRVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NC(C(=O)O)CCC(=O)O)C
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.341CC(=O)N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.341CC(=O)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC(CCC(=O)O)C(=O)O
FormulaC7 H11 N O5
NameN-ACETYL-L-GLUTAMATE
ChEMBLCHEMBL1234751
DrugBankDB04075
ZINCZINC000001532704
PDB chain3b8g Chain A Residue 437 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b8g The crystal structure of N-acetyl-L-glutamate synthase from Neisseria gonorrhoeae provides insights into mechanisms of catalysis and regulation.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L314 R316 A355 C356 L391 R425 S427
Binding residue
(residue number reindexed from 1)		L302 R304 A343 C344 L379 R413 S415
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) I30
Catalytic site (residue number reindexed from 1) I26
Enzyme Commision number 2.3.1.1: amino-acid N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0004042 L-glutamate N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006526 L-arginine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3b8g, PDBe:3b8g, PDBj:3b8g
PDBsum3b8g
PubMed18184660
UniProtQ5FAK7

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