Structure of PDB 4kpn Chain D Binding Site BS01

Receptor Information
>4kpn Chain D (length=318) Species: 3218 (Physcomitrium patens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPKKVIIDTDPGIDDAMAIFFALKSPELDVIALTTIYGNVRTPTATVNAL
HLLEFAGREDIPVSEGFRTSLRGELKERIADFVHGADGLGNTYPTLSDRK
PIDTFAPDYLIQKVNEFPGEITIVALGPLTNLAAAVECDPTFAKKVGQII
ILGGAFQVNGNVNPAAEANIYGDPEAADIIFTCGADILVVGINITHQVYW
TGKDLEDLGRSDSKFGKYLYAASHFYATYHREAYDIDAIYLHDPATMVAA
VDPSLMTYATGAVRVQKDGICKGLTLFNNSNKVWHDPTDWCGIPPVKVAV
TVDRERVASLLKERLTAP
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 chain4kpn Chain D Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kpn Structure and Function of Nucleoside Hydrolases from Physcomitrella patens and Maize Catalyzing the Hydrolysis of Purine, Pyrimidine, and Cytokinin Ribosides.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		D25 D30 L141 D258
Binding residue
(residue number reindexed from 1)		D10 D15 L126 D243
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D25 D30 N54 L141 A183 N184 H257 D258
Catalytic site (residue number reindexed from 1) D10 D15 N39 L126 A168 N169 H242 D243
Enzyme Commision number 3.2.2.1: purine nucleosidase.
Gene Ontology
Molecular Function
GO:0008477 purine nucleosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0035251 UDP-glucosyltransferase activity
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0047724 inosine nucleosidase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006148 inosine catabolic process
GO:0006152 purine nucleoside catabolic process
GO:0010150 leaf senescence
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4kpn, PDBe:4kpn, PDBj:4kpn
PDBsum4kpn
PubMed24170203
UniProtA9TXA6

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