Structure of PDB 2man Chain A Binding Site BS02

Receptor Information
>2man Chain A (length=298) Species: 2021 (Thermobifida fusca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATGLHVKNGRLYEANGQEFIIRGVSHPHNWYPQHTQAFADIKSHGANTVR
VVLSNGVRWSKNGPSDVANVISLCKQNRLICMLEVHDTTGYGEQSGASTL
DQAVDYWIELKSVLQGEEDYVLINIGNEPYGNDSATVAAWATDTSAAIQR
LRAAGFEHTLVVDAPNWGQDWTNTMRNNADQVYASDPTGNTVFSIHMYGV
YSQASTITSYLEHFVNAGLPLIIGEFGHDNPDEDTIMAEAERLKLGYIGW
SWSGNGGGVEYLDMVYNFDGDNLSPWGERIFYGPNGIASTAKEAVIFG
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 chain2man Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2man High-resolution native and complex structures of thermostable beta-mannanase from Thermomonospora fusca - substrate specificity in glycosyl hydrolase family 5.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W30 W59
Binding residue
(residue number reindexed from 1)		W30 W59
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R50 N127 E128 H196 Y198 E225 W254
Catalytic site (residue number reindexed from 1) R50 N127 E128 H196 Y198 E225 W250
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:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016985 mannan endo-1,4-beta-mannosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2man, PDBe:2man, PDBj:2man
PDBsum2man
PubMed9817845
UniProtQ9ZF13

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