Structure of PDB 3rq0 Chain A Binding Site BS01

Receptor Information
>3rq0 Chain A (length=230) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYVFADEFDGPAGSAPSAAKWTIAKARETIQDPTYWEQPGRIGQYRNDRR
NVFLDGKSNLVIRAAKDGDTYYSAKLASVWEGGAGHTWEARIKFNCLTAG
AWPAFWLGNTGEGELDIIEWYGNGSWPSATTVHAKSNGGEWKTHNIAVDN
GWHRWRTQWDAEGARFWLDYTDGAQPYFEVAASSLPDWPFDQPGYTMFVV
LNLAVAGSGGGDPSGGTYPADMLVDWVRVW
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 chain3rq0 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rq0 The crystal structure of a glycosyl hydrolases (GH) family protein 16 from Mycobacterium smegmatis str. MC2 155
Resolution2.02 Å
Binding residue
(original residue number in PDB)		E43 S94 D261
Binding residue
(residue number reindexed from 1)		E7 S58 D225
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3rq0, PDBe:3rq0, PDBj:3rq0
PDBsum3rq0
PubMed
UniProtA0R351

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