Structure of PDB 5k8o Chain D Binding Site BS01

Receptor Information
>5k8o Chain D (length=425) Species: 376 (Bradyrhizobium sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAGSNDVAKVMKTLDGMREGLIQTAVELGSIEAPTGREGAAGDYVYEWMA
RNGFGPERVGVFDDRFNVVGRLRGTGGGASLSFNSHLDTIMAREDTARFA
DANDRIYHEAWHEEGRIYGYSVVNCKGPMACWLIAAKALKEAGAALKGDV
VLTAVCGEIDCEPVDEFQGHDYLAEDIGARYAISHGAISDYALVAEATNF
KPAWVEAGKVFLKVTVFAGPSRYTPYVPRPVAALDSPNAIVRMAKLVEAL
EEWADNYEKRYTREYGGGTVVPKVAIGAIRGGVPYKIYRFPELCSIYMDI
RLNPDTNPLVVQREVEAVVSKLGLKAEVKPFLFRRGYEAQGIEPLQNALE
VAHREVVGRPTERPGSPECSMWRDTNPYNELGIPSLTYGCGGGAGGGNTY
FLVDDMLKAAKVYAMTAMDLCNRTP
Ligand information
Ligand ID6R7
InChIInChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKeyPPDRLQLKHRZIJC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)O
CACTVS 3.385OC(=O)c1cc(ccc1O)[N+]([O-])=O
FormulaC7 H5 N O5
Name5-nitrosalicylic acid;
5-nitro-2-oxidanyl-benzoic acid
ChEMBLCHEMBL1940317
DrugBank
ZINCZINC000001555337
PDB chain5k8o Chain C Residue 502 [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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PDB5k8o Enzymatic hydrolysis by transition-metal-dependent nucleophilic aromatic substitution.
Resolution2.893 Å
Binding residue
(original residue number in PDB)		Y223 Y288 R289
Binding residue
(residue number reindexed from 1)		Y223 Y288 R289
Annotation score3
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:5k8o, PDBe:5k8o, PDBj:5k8o
PDBsum5k8o
PubMed27694799
UniProtD3WZ85|NAAA_BRASZ 5-nitroanthranilic acid aminohydrolase (Gene Name=naaA)

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