Structure of PDB 3axe Chain A Binding Site BS01

Receptor Information
>3axe Chain A (length=234) Species: 59374 (Fibrobacter succinogenes subsp. succinogenes S85) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKDFSGAELYTLEEYQYGKFEARMKMAAASGTVSSMFLYQNGSEIADGRP
WVEVDIEVLGKSPGSFQSNIITGKAGAQKTSEKHHAVSPAADQAFHTYGL
EWTPNYVRWTVDGQEVRKTEGGQVSNLTGTQGLRFNLWSSESAAWVGQFD
ESKLPLFQFINWVKVYKYTSDFTLDWTDNFDTFDGSRWGKGDYTFDGNRV
DLTDKNIYSRDGMLILALTRKGQESFNGQVPRDD
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3axe Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3axe Rational design to improve thermostability and specific activity of the truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase
Resolution1.53 Å
Binding residue
(original residue number in PDB)		E11 Y42 E47 F205
Binding residue
(residue number reindexed from 1)		E8 Y39 E44 F195
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E56 E60
Catalytic site (residue number reindexed from 1) E53 E57
Enzyme Commision number 3.2.1.73: licheninase.
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:3axe, PDBe:3axe, PDBj:3axe
PDBsum3axe
PubMed21959377
UniProtP17989|GUB_FIBSS Beta-glucanase (Gene Name=Fisuc_2961)

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