Structure of PDB 8wbv Chain A Binding Site BS02

Receptor Information
>8wbv Chain A (length=391) Species: 351627 (Caldicellulosiruptor saccharolyticus DSM 8903) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMDITRFKEDLKAHLEEKIIPFWQSLKDDEFGGYYGYMDFNLNIDRKAQ
KGCILNSRILWFFSACYNVLKSEKCKEMAFHAFEFLKNKFWDKEYEGLFW
SVSHKGVPVDVTKHVYVQAFGIYGLSEYYEASGDEEALHMAKRLFEILET
KCKRENGYTEQFERNWQEKENRFLSENGVIASKTMNTHLHVLESYTNLYR
LLKLDDVYEALEWIVRLFVDKIYKKGTGHFKVFCDDNWNELIKAVSYGFD
IEASWLLDQAAKYLKDEKLKEEVEKLALEVAQITLKEAFDGQSLINEMIE
DRIDRSKIWWVEAETVVGFFNAYQKTKEEKYLDAAIKTWEFIKEHLVDRR
KNSEWLWKVNEDLEAVNMPIVEQWKCPYHNGRMCLEIIKRV
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 chain8wbv Chain A Residue 402 [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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PDB8wbv The crystal structure of linear mannose with mutant H247F of the cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E166 K167 S180 D234
Binding residue
(residue number reindexed from 1)		E168 K169 S182 D236
Annotation score3
Enzymatic activity
Enzyme Commision number 5.1.3.11: cellobiose epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0047736 cellobiose epimerase activity
GO:0050121 N-acylglucosamine 2-epimerase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006051 N-acetylmannosamine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8wbv, PDBe:8wbv, PDBj:8wbv
PDBsum8wbv
PubMed
UniProtA4XGA6

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