Structure of PDB 3hm7 Chain B Binding Site BS01

Receptor Information
>3hm7 Chain B (length=437) Species: 86665 (Halalkalibacterium halodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRFDLIIRSSTVVTETTTYRADVAIRNGIVSAITEPGSISSDDGPAIDGT
GLHLFPGMVDVHVHFNEPGRTEWEGFASGSKSLAAGGVTTYFDMPLNSNP
PTITREELDKKRQLANEKSLVDYRFWGGLVPGNIDHLQDLHDGGVIGFKA
FMSECGTDDFQFSHDETLLKGMKKIAALGSILAVHAESNEMVNALTTIAI
EEQRLTVKDYSEARPIVSELEAVERILRFAQLTCCPIHICHVSSRKVLKR
IKQAKGEGVNVSVETCPHYLLFSLDEFAEIGYLAKCAPPLRERQEVEDLW
DGLMAGEIDLISSDHSPSLPQMKTGKTIFEVWGGIAGCQNTLAVMLTEGY
HKRKMPLTQIVQLLSTEPAKRFGLYPQKGTIQVGAEASFTLIDLNESYTL
NASDLYYRHPISPYVGQRFRGKVKHTICQGKHVYQDH
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 chain3hm7 Chain B Residue 447 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hm7 Crystal Structure of Allantoinase from Bacillus Halodurans
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H63 H65 D315
Binding residue
(residue number reindexed from 1)		H62 H64 D314
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.5: allantoinase.
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:0016812 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0000256 allantoin catabolic process
GO:0006144 purine nucleobase metabolic process
GO:0006145 purine nucleobase catabolic process
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:3hm7, PDBe:3hm7, PDBj:3hm7
PDBsum3hm7
PubMed
UniProtQ9KAH8|ALLB_HALH5 Allantoinase (Gene Name=allB)

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