Structure of PDB 1ezr Chain A Binding Site BS01

Receptor Information
>1ezr Chain A (length=312) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRKIILDCDPGIDDAVAIFLAHGNPEIELLAITTVVGNQSLEKVTQNARL
VADVAGIVGVPVAAGCTKPLVRGVRNASHIHGETGMGNVSYPPEFKTKLD
GRHAVQLIIDLIMSHEPKTITLVPTGGLTNIAMAVRLEPRIVDRVKEVVL
MGGGYHTGNASPVAEFNVFIDPEAAHIVFNESWNVTMVGLDLTHLALATP
AVQKRVREVGTKPAAFMLQILDFYTKVYEKEHDTYGKVHDPCAVAYVIDP
TVMTTERVPVDIELNGALTTGMTVADFRYPRPKNCRTQVAVKLDFDKFWC
LVIDALERIGDP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1ezr Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ezr Nucleoside hydrolase from Leishmania major. Cloning, expression, catalytic properties, transition state inhibitors, and the 2.5-a crystal structure.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D10 D15 T126 D241
Binding residue
(residue number reindexed from 1)		D9 D14 T125 D240
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D10 D15 N39 V75 T126 F167 N168 H240 D241
Catalytic site (residue number reindexed from 1) D9 D14 N38 V74 T125 F166 N167 H239 D240
Enzyme Commision number 3.2.2.2: inosine nucleosidase.
3.2.2.3: uridine nucleosidase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0008477 purine nucleosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0045437 uridine nucleosidase activity
GO:0046872 metal ion binding
GO:0047724 inosine nucleosidase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009117 nucleotide metabolic process
GO:0043101 purine-containing compound salvage
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ezr, PDBe:1ezr, PDBj:1ezr
PDBsum1ezr
PubMed10409664
UniProtP83851|IUNH_LEIMA Inosine-uridine preferring nucleoside hydrolase (Gene Name=NSNH)

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