Structure of PDB 3man Chain A Binding Site BS01

Receptor Information
>3man Chain A (length=297) 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
YSQASTITSYLEHFVNAGLPLIIGEFGHNPDEDTIMAEAERLKLGYIGWS
WSGNGGGVEYLDMVYNFDGDNLSPWGERIFYGPNGIASTAKEAVIFG
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
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
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]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
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain3man 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

[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]
PDB3man High-resolution native and complex structures of thermostable beta-mannanase from Thermomonospora fusca - substrate specificity in glycosyl hydrolase family 5.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H86 N259 G260
Binding residue
(residue number reindexed from 1)		H86 N254 G255
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 W249
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:3man, PDBe:3man, PDBj:3man
PDBsum3man
PubMed9817845
UniProtQ9ZF13

[Back to BioLiP]