Structure of PDB 5k8p Chain E Binding Site BS01

Receptor Information
>5k8p Chain E (length=423) Species: 376 (Bradyrhizobium sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSNDVAKVMKTLDGMREGLIQTAVELGSIEAPTGREGAAGDYVYEWMARN
GFGPERVGVFDDRFNVVGRLRGTGGGASLSFNSHLDTIMAREDTARFADA
NDRIYHEAWHEEGRIYGYSVVNCKGPMACWLIAAKALKEAGAALKGDVVL
TAVCGEIDCEPVDEFQGHDYLAEDIGARYAISHGAISDYALVAEATNFKP
AWVEAGKVFLKVTVFAGPSRYTPYVPRPVAALDSPNAIVRMAKLVEALEE
WADNYEKRYTREYGGGTVVPKVAIGAIRGGVPYKIYAFPELCSIYMDIRL
NPDTNPLVVQREVEAVVSKLGLKAEVKPFLFRRGYEAQGIEPLQNALEVA
HREVVGRPTERPGSPECSMWRDTNPYNELGIPSLTYGCGGGAGGGNTYFL
VDDMLKAAKVYAMTAMDLCNRTP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5k8p Chain E 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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PDB5k8p Enzymatic hydrolysis by transition-metal-dependent nucleophilic aromatic substitution.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H86 N124 E196
Binding residue
(residue number reindexed from 1)		H84 N122 E194
Annotation score1
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:5k8p, PDBe:5k8p, PDBj:5k8p
PDBsum5k8p
PubMed27694799
UniProtD3WZ85|NAAA_BRASZ 5-nitroanthranilic acid aminohydrolase (Gene Name=naaA)

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