Structure of PDB 2v38 Chain A Binding Site BS01

Receptor Information
>2v38 Chain A (length=301) Species: 76935 (Salipaludibacillus agaradhaerens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVVEEHGQLSISNGELVNERGEQVQLKGMSSHGLQWYGQFVNYESMKWLR
DDWGINVFRAAMYTSSGGYIDDPSVKEKVKEAVEAAIDLDIYVIIDWHIL
SDNDPNIYKEEAKDFFDEMSELYGDYPNVIYEIANEPNGSDVTWGNQIKP
YAEEVIPIIRNNDPNNIIIVGTGTWSQDVHHAADNQLADPNVMYAFHFYA
GTHGQNLRDQVDYALDQGAAIFVSEWGTSAATGDGGVFLDEAQVWIDFMD
ERNLSWANWSLTHKDESSAALMPGANPTGGWTEAELSPSGTFVREKIRES
A
Ligand information
Ligand IDIFL
InChIInChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1
InChIKeyARBXEMIAJIJEQI-WDCZJNDASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NCC(CO)C(O)C1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(=O)N1)O)O)CO
CACTVS 3.341OC[CH]1CNC(=O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1CNC(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO
FormulaC6 H11 N O4
Name(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE;
ISOFAGOMINE LACTAM
ChEMBLCHEMBL1213445
DrugBank
ZINC
PDB chain2v38 Chain A Residue 1309 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2v38 D-Glucosylated Derivatives of Isofagomine and Noeuromycin and Their Potential as Inhibitors of Beta-Glycoside Hydrolases
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y66 H101 N138 E139 Y202 E228 A234 T235 G236 W262
Binding residue
(residue number reindexed from 1)		Y63 H98 N135 E136 Y199 E225 A231 T232 G233 W259
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2v38, PDBe:2v38, PDBj:2v38
PDBsum2v38
PubMed
UniProtO85465|GUN5_SALAG Endoglucanase 5A (Gene Name=cel5A)

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