Structure of PDB 4xwl Chain A Binding Site BS05

Receptor Information
>4xwl Chain A (length=634) Species: 1493 (Clostridium cellulovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APVVPNNEYVQHFKDMYAKIHNANNGYFSDEGIPYHAVETLMVEAPDYGH
ETTSEAFSYYMWLEAMNAKLTGDFSGFKKAWDVTEKYIIPGETDQPSASM
SNYDPNKPATYAAEHPDPSMYPSQLQFGAAVGKDPLYNELKSTYGTSQVY
GMHWLLDVDNWYGFGGATSTSPVYINTFQRGVQESCWETVPQPCKDEMKY
GGRNGFLDLFTGDSQYATQFKYTNAPDADARAVQATYYAQLAAKEWGVDI
SSYVAKSTKMGDFLRYSFFDKYFRKVGNSTQAGTGYDSAQYLLNWYYAWG
GGISSNWSWRIGSSHNHFGYQNPMAAWILSNTSDFKPKSPNAATDWNNSL
KRQIEFYQWLQSAEGGIAGGASNSNGGSYQAWPAGTRTFYGMGYTPHPVY
EDPGSNEWFGMQAWSMQRVAEYYYSSKDPAAKSLLDKWAKWACANVQFDD
AAKKFKIPAKLVWTGQPDTWTGSYTGNSNLHVKVEAYGEDLGVAGSLSNA
LSYYAKALESSTDAADKVAYNTAKETSRKILDYLWASYQDDKGIAVTETR
NDFKRFNQSVYIPSGWTGKMPNGDVIQSGATFLSIRSKYKQDPSWPNVEA
ALANGTGVDMTYHRFWGQSDIAIAFGTYGTLFTD
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain4xwl Chain A Residue 716 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4xwl Structures of exoglucanase from Clostridium cellulovorans: cellotetraose binding and cleavage
Resolution2.051 Å
Binding residue
(original residue number in PDB)		H392 E396 E402
Binding residue
(residue number reindexed from 1)		H397 E401 E407
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016162 cellulose 1,4-beta-cellobiosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xwl, PDBe:4xwl, PDBj:4xwl
PDBsum4xwl
PubMed26457517
UniProtO65986

[Back to BioLiP]