Structure of PDB 5k8n Chain F Binding Site BS02

Receptor Information
>5k8n Chain F (length=420) Species: 376 (Bradyrhizobium sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVAKVMKTLDGMREGLIQTAVELGSIEAPTGREGAAGDYVYEWMARNGFG
PERVGVFDDRFNVVGRLRGTGGGASLSFNSHLDTIMAREDTARFADANDR
IYHEAWHEEGRIYGYSVVNCKGPMACWLIAAKALKEAGAALKGDVVLTAV
CGEIDCEPVDEFQGHDYLAEDIGARYAISHGAISDYALVAEATNFKPAWV
EAGKVFLKVTVFAGPSRYTPYVPRPVAALDSPNAIVRMAKLVEALEEWAD
NYEKRYTREYGGGTVVPKVAIGAIRGGVPYKIYRFPELCSIYMDIRLNPD
TNPLVVQREVEAVVSKLGLKAEVKPFLFRRGYEAQGIEPLQNALEVAHRE
VVGRPTERPGSPECSMWRDTNPYNELGIPSLTYGCGGGAGGGNTYFLVDD
MLKAAKVYAMTAMDLCNRTP
Ligand information
Ligand ID6R6
InChIInChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKeyRUCHWTKMOWXHLU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)N
CACTVS 3.385Nc1ccc(cc1C(O)=O)[N+]([O-])=O
FormulaC7 H6 N2 O4
Name5-nitroanthranilic acid;
2-azanyl-5-nitro-benzoic acid
ChEMBLCHEMBL39476
DrugBank
ZINCZINC000003878253
PDB chain5k8n Chain F Residue 501 [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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PDB5k8n Enzymatic hydrolysis by transition-metal-dependent nucleophilic aromatic substitution.
Resolution3.225 Å
Binding residue
(original residue number in PDB)		I90 N124 E158 R373 G395
Binding residue
(residue number reindexed from 1)		I85 N119 E153 R368 G390
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.99.8: 5-nitroanthranilic acid aminohydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5k8n, PDBe:5k8n, PDBj:5k8n
PDBsum5k8n
PubMed27694799
UniProtD3WZ85|NAAA_BRASZ 5-nitroanthranilic acid aminohydrolase (Gene Name=naaA)

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