Structure of PDB 1gkr Chain D Binding Site BS01

Receptor Information
>1gkr Chain D (length=451) Species: 43663 (Paenarthrobacter aurescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFDVIVKNCRLVSSDGITEADILVKDGKVAAISADTSDVEASRTIDAGGK
FVMPGVVDEHVHIIDMDLKNRYGRFELDSESAAVGGITTIIEMPITFPPT
TTLDAFLEKKKQAGQRLKVDFALYGGGVPGNLPEIRKMHDAGAVGFKSMM
AASVPGMFDAVSDGELFEIFQEIAACGSVIVVHAENETIIQALQKQIKAA
GGKDMAAYEASQPVFQENEAIQRALLLQKEAGCRLIVLHVSNPDGVELIH
QAQSEGQDVHCESGPQYLNITTDDAERIGPYMKVAPPVRSAEMNIRLWEQ
LENGLIDTLGSDHGGHPVEDKEPGWKDVWKAGNGALGLETSLPMMLTNGV
NKGRLSLERLVEVMCEKPAKLFGIYPQKGTLQVGSDADLLILDLDIDTKV
DASQFRSLHKYSPFDGMPVTGAPVLTMVRGTVVAEKGEVLVEQGFGQFVT
R
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 chain1gkr Chain D Residue 1452 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gkr The structure of L-hydantoinase from Arthobacter aurescens leads to an understanding of dihydropyrimidinase substrate and enantio specificity.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		K147 H183 H239
Binding residue
(residue number reindexed from 1)		K147 H183 H239
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.-
Gene Ontology
Molecular Function
GO:0004038 allantoinase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0000256 allantoin catabolic process
GO:0006145 purine nucleobase catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1gkr, PDBe:1gkr, PDBj:1gkr
PDBsum1gkr
PubMed12093275
UniProtP81006|HYDL_PAEAU L-hydantoinase (Gene Name=lhyD)

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