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Structure of PDB 2bvt Chain B Binding Site BS02

Receptor Information
>2bvt Chain B (length=451) Species: 1708 (Cellulomonas fimi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIAIVDADATAETRSLLSYLDGVRGEGILFGHQHTTSFGLTTGPTDGTTS
DVKNVTGDFPAVFGWDTLIIEGNERPGLAENTRDENIALFADYIRKADAI
GGVNTVSAHVENFVTGGSFYDTSGDTLRAVLPGGSHHAELVAYLDDIAEL
ADASRRDDGTLIPIVFRPWHENAGSWFWWGAAYGSPGEYQELYRFTVEYL
RDVKGVSNFLYAWGPGGGFGGNRDVYLRTYPGDAFVDVLGLDTYDSTGSD
AFLAGLVADLRMIAEIADEKGKVSAFTEFGVSGGVGTNGSSPAQWFTKVL
AAIKADPVASRNAYMETWANFDAGQHFVPVPGDALLEDFQAYAADPFTLF
ASEVTGAFDRTVAAAPAQPVVHIASPADGARVASAPTTVRVRVGGTDVQS
VTVEVAQVVDTLDLAYDGALWWTAPWSPYTVTATATTAAGTLDVTNEVAA
A
Ligand information
Ligand IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain2bvt Chain D 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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PDB2bvt The Structure and Characterization of a Modular Endo-Beta-1,4-Mannanase from Cellulomonas Fimi
Resolution2.9 Å
Binding residue
(original residue number in PDB)		N77 E78
Binding residue
(residue number reindexed from 1)		N73 E74
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.78: mannan endo-1,4-beta-mannosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016985 mannan endo-1,4-beta-mannosidase activity
Biological Process
GO:0006080 substituted mannan metabolic process

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Molecular Function
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Biological Process
External links

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