Structure of PDB 3ndz Chain A Binding Site BS02

Receptor Information
>3ndz Chain A (length=345) Species: 1493 (Clostridium cellulovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAFTGVRDVPAQQIVNEMKVGWNLGNTMDAIGGETNWGNPMTTHAMINK
IKEAGFNTLRLPVTWDGHMGAAPEYTIDQTWMKRVEEIANYAFDNDMYVI
INLHHENEWLKPFYANEAQVKAQLTKVWTQIANNFKKYGDHLIFETMNEP
RPVGASLQWTGGSYENREVVNRYNLTAVNAIRATGGNNATRYIMVPTLAA
SAMSTTINDLVIPNNDSKVIVSLHMYSPYFFAMDINGTSSWGSDYDKSSL
DSEFDAVYNKFVKNGRAVVIGEMGSINKNNTAARVTHAEYYAKSAKARGL
TPIWWDNGYSVAGKAETFGIFNRSNLTWDAPEVMKAFIKGIGGSS
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 chain3ndz Chain I Residue 2 [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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PDB3ndz The structure of the catalytic and carbohydrate binding domain of endoglucanase D bound to cellotriose
Resolution2.08 Å
Binding residue
(original residue number in PDB)		N30 W41 H108 N310 E319
Binding residue
(residue number reindexed from 1)		N27 W38 H105 N307 E316
Annotation score4
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ndz, PDBe:3ndz, PDBj:3ndz
PDBsum3ndz
PubMed
UniProtP28623|GUND_CLOC7 Endoglucanase D (Gene Name=engD)

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