Structure of PDB 1cen Chain A Binding Site BS01

Receptor Information
>1cen Chain A (length=334) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVSFKAGINLGGWISQYQVFSKEHFDTFITEKDIETIAEAGFDHVRLPFD
YPIIESDDNVGEYKEDGLSYIDRCLEWCKKYNLGLVLDMHHAPGYTSTLF
EDPNQQKRFVDIWRFLAKRYINEREHIAFELLNQVVEPDSTRWNKLMLEC
IKAIREIDSTMWLYIGGNNYNSPDELKNLADIDDDYIVYNFHFYNPFFFT
HQKAHWSESAMAYNRTVKYPGQYEGIEEFVKNNPKYSFMMELNNLKLNKE
LLRKDLKPAIEFREKKKCKLYCGEFGVIAIADLESRIKWHEDYISLLEEY
DIGGAVWNYKKMDFEIYNEDRKPVSQELVNILAR
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 chain1cen Chain B Residue 1 [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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PDB1cen The crystal structure of a family 5 endoglucanase mutant in complexed and uncomplexed forms reveals an induced fit activation mechanism.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H90 Q140 Y200 H207 W212 E280 W313 F320
Binding residue
(residue number reindexed from 1)		H90 Q134 Y194 H201 W206 E274 W307 F314
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q140 E280
Catalytic site (residue number reindexed from 1) Q134 E274
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0009251 glucan catabolic process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0009986 cell surface

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1cen, PDBe:1cen, PDBj:1cen
PDBsum1cen
PubMed8632467
UniProtP0C2S3|GUNC_ACETH Endoglucanase C (Gene Name=celC)

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