Structure of PDB 3g5i Chain D Binding Site BS01

Receptor Information
>3g5i Chain D (length=304) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSALPILLDCDPGHDDAIAIVLALASPELDVKAITSSAGNQTPEKTLRNV
LRMLTLLNRTDIPVAGGAVKPLMRELISGLDGPALPEPTFAPQNCTAVEL
MAKTLRESAEPVTIVSTGPQTNVALLLNSHPELHSKIARIVIMGGAMGLG
NWTPAAEFNIYVDPEAAEIVFQSGIPVVMAGLDVTHKAQIHVEDTERFRA
IGNPVSTIVAELLDFFLEYHKDEKWGFVGAPLHDPCTIAWLLKPELFTSV
ERWVGVETQGKYTQGMTVVDYYYLTGNKPNATVMVDVDRQGFVDLLADRL
KFYA
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 chain3g5i Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3g5i Active site plasticity revealed from the structure of the enterobacterial N-ribohydrolase RihA bound to a competitive inhibitor.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D10 D15 T124 D241
Binding residue
(residue number reindexed from 1)		D11 D16 T117 D234
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D10 D15 N39 L75 T124 F165 N166 H240 D241
Catalytic site (residue number reindexed from 1) D11 D16 N40 L76 T117 F158 N159 H233 D234
Enzyme Commision number 3.2.-.-
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008477 purine nucleosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0042802 identical protein binding
GO:0045437 uridine nucleosidase activity
GO:0050263 ribosylpyrimidine nucleosidase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006152 purine nucleoside catabolic process
GO:0006206 pyrimidine nucleobase metabolic process
GO:0015949 nucleobase-containing small molecule interconversion
GO:0046133 pyrimidine ribonucleoside catabolic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Biological Process
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Cellular Component
External links
PDB RCSB:3g5i, PDBe:3g5i, PDBj:3g5i
PDBsum3g5i
PubMed20529317
UniProtP41409|RIHA_ECOLI Pyrimidine-specific ribonucleoside hydrolase RihA (Gene Name=rihA)

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