Structure of PDB 3kxa Chain C Binding Site BS01

Receptor Information
>3kxa Chain C (length=131) Species: 242231 (Neisseria gonorrhoeae FA 1090) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPVTHIKCLRINGQIKCVKPISPNTTPAAEHIEHVRKNPRRKAAMDRAAA
RIADKIALKAGGETFVSLRMKKGFTQSELATAAGLPQPYLSRIENSKQSL
QDKTVQKLANALGVSPLEVRAAFERRYEYME
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain3kxa Chain C Residue 140 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kxa The crystal structure of NGO0477 from Neisseria gonorrhoeae reveals a novel protein fold incorporating a helix-turn-helix motif.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K7 L9 K16 V18 K19
Binding residue
(residue number reindexed from 1)		K7 L9 K16 V18 K19
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:3kxa, PDBe:3kxa, PDBj:3kxa
PDBsum3kxa
PubMed20196080
UniProtQ5F9C2

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