Structure of PDB 6nbo Chain A Binding Site BS02

Receptor Information
>6nbo Chain A (length=390) Species: 395019 (Burkholderia multivorans ATCC 17616) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTALLIRNVRTGADDALDILIEGDRIARTGPSLDAPPGCAIEEGAGAIAL
PGLVEGHTHLDKTHWGMPWYRNAVGDRIENERHYRATSGHDAGAASLALA
RAFLAAGTTRIRTHVDVDTDAGLRHLHRVLDTRETLRGQVEIQIVAFPQS
GVLKRPGTDALLADALAAGADLLGGLDPCAIEGDPVKAVDVLFGIAERYG
RGLDLHLHERGSMGAYSLDLILQRTAALGMQHKVTISHAFCLGDLAERER
DALLARMAELGVAVVTTAPAAVPVPSVLACRAAGVTVIGGNDGVRDTWTP
YGSPDMLERAMLIAMRNDFRRDDALEVALECVTHGAARGCGFDAYGLQPG
ARADVVLVDAMTLAEAVVARPVRRLVVSSGKIVARNGALV
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 chain6nbo Chain A Residue 412 [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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PDB6nbo Crystal structure of N-isopropylammelide isopropylaminohydrolase from Burkholderia multivorans ATCC 17616
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H242 D296
Binding residue
(residue number reindexed from 1)		H238 D292
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.42: N-isopropylammelide isopropylaminohydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0016814 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
GO:0018764 N-isopropylammelide isopropylaminohydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6nbo, PDBe:6nbo, PDBj:6nbo
PDBsum6nbo
PubMed
UniProtA0A0H3KPJ4

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