Structure of PDB 3rq0 Chain A Binding Site BS02

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 ID211
InChIInChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKeyGSEJCLTVZPLZKY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)N(CCO)CCO
ACDLabs 10.04
CACTVS 3.341		OCCN(CCO)CCO
FormulaC6 H15 N O3
Name2,2',2''-NITRILOTRIETHANOL
ChEMBLCHEMBL446061
DrugBankDB13747
ZINCZINC000000896409
PDB chain3rq0 Chain A Residue 280 [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)		W156 Y157 G158 G160
Binding residue
(residue number reindexed from 1)		W120 Y121 G122 G124
Annotation score1
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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