Structure of PDB 3dc8 Chain A Binding Site BS01

Receptor Information
>3dc8 Chain A (length=483) Species: 382 (Sinorhizobium meliloti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVIKGGTIVTADLTYKADVKVEGGRIVEIGPNLSGAETLDATGCYVMPG
GIDPHTHLEMPFMGTYSSDDFESGTRAALAGGTTMVVDFALPSGQSLLEA
LTMWDNKSTRANCDYSFHMAITWWGEQVFNEMETIVKDKGINTFKHFMAY
KGALMVDDDEMFSSFQRCAALGALPLVHAENGDVVAQLQAKLLAEGNSGP
EAHAYSRPAEVEGEAANRAIMIADMAGCPVYIVHTSCEQAHEAIRRARAK
GMRVFGEPLIQHLTLDETEYFDKDWDHAARRVMSPPFRNKLHQDSLWAGL
ASGSLQVVATDHCAFTTEQKRFGVGDFTRIPNGTGGLEDRMPMLWTYGVA
TGRITMNEFVAVTSTNIAKILNIYPKKGAILVGADADLVVWDPKRSKTIS
AKTQQSAIDYNVFEGKTVTGLPRFTLTRGVVSIEEGTVKTQEGHGEFVRR
DPFPAVSTALSTWKEVTAPRAVQRSGIPASGVH
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 chain3dc8 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dc8 Structure of dihydropyrimidinase from Sinorhizobium meliloti CECT4114: new features in an amidohydrolase family member
Resolution1.85 Å
Binding residue
(original residue number in PDB)		K147 H180 H236
Binding residue
(residue number reindexed from 1)		K145 H178 H234
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.2: dihydropyrimidinase.
Gene Ontology
Molecular Function
GO:0004157 dihydropyrimidinase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3dc8, PDBe:3dc8, PDBj:3dc8
PDBsum3dc8
PubMed19895890
UniProtQ0PQZ5

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