Structure of PDB 5k8o Chain C Binding Site BS01

Receptor Information
>5k8o Chain C (length=421) Species: 376 (Bradyrhizobium sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDVAKVMKTLDGMREGLIQTAVELGSIEAPTGREGAAGDYVYEWMARNGF
GPERVGVFDDRFNVVGRLRGTGGGASLSFNSHLDTIMAREDTARFADAND
RIYHEAWHEEGRIYGYSVVNCKGPMACWLIAAKALKEAGAALKGDVVLTA
VCGEIDCEPVDEFQGHDYLAEDIGARYAISHGAISDYALVAEATNFKPAW
VEAGKVFLKVTVFAGPSRYTPYVPRPVAALDSPNAIVRMAKLVEALEEWA
DNYEKRYTREYGGGTVVPKVAIGAIRGGVPYKIYRFPELCSIYMDIRLNP
DTNPLVVQREVEAVVSKLGLKAEVKPFLFRRGYEAQGIEPLQNALEVAHR
EVVGRPTERPGSPECSMWRDTNPYNELGIPSLTYGCGGGAGGGNTYFLVD
DMLKAAKVYAMTAMDLCNRTP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5k8o Chain C 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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PDB5k8o Enzymatic hydrolysis by transition-metal-dependent nucleophilic aromatic substitution.
Resolution2.893 Å
Binding residue
(original residue number in PDB)		H86 N124 E158 E196
Binding residue
(residue number reindexed from 1)		H82 N120 E154 E192
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:5k8o, PDBe:5k8o, PDBj:5k8o
PDBsum5k8o
PubMed27694799
UniProtD3WZ85|NAAA_BRASZ 5-nitroanthranilic acid aminohydrolase (Gene Name=naaA)

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