Structure of PDB 1gkq Chain C Binding Site BS01

Receptor Information
>1gkq Chain C (length=458) Species: 275 (Thermus sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLLIKNGEIITADSRYKADIYAEGETITRIGQNLEAPPGTEVIDATGKYV
FPGFIDPHVHIYLPFMATFAKDTHETGSKAALMGGTTTYIEMCCPSRNDD
ALEGYQLWKSKAEGNSYCDYTFHMAVSKFDEKTEGQLREIVADGISSFKI
FLSYKNFFGVDDGEMYQTLRLAKELGVIVTAHCENAELVGRLQQKLLSEG
KTGPEWHEPSRPEAVEAEGTARFATFLETTGATGYVVHLSCKPALDAAMA
AKARGVPIYIESVIPHFLLDKTYAERGGVEAMKYIMSPPLRDKRNQKVLW
DALAQGFIDTVGTDHCPFDTEQKLLGKEAFTAIPNGIPAIEDRVNLLYTY
GVSRGRLDIHRFVDAASTKAAKLFGLFPRKGTIAVGSDADLVVYDPQYRG
TISVKTQHVNNDYNGFEGFEIDGRPSVVTVRGKVAVRDGQFVGEKGWGKL
LRREPMYF
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 chain1gkq Chain C Residue 1460 [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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PDB1gkq X-Ray Structure of a Dihydropyrimidinase from Thermus Sp. At 1.3 A Resolution
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H59 H61 K150 D315
Binding residue
(residue number reindexed from 1)		H58 H60 K149 D314
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.2: dihydropyrimidinase.
Gene Ontology
Molecular Function
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1gkq, PDBe:1gkq, PDBj:1gkq
PDBsum1gkq
PubMed12079340
UniProtQ7SIE9

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