Structure of PDB 3kxa Chain A Binding Site BS01

Receptor Information
>3kxa Chain A (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 A 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
Binding residue
(residue number reindexed from 1)		K7 L9 K16 V18
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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