Structure of PDB 8wbv Chain A Binding Site BS01

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 IDDNO
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1
InChIKeyGZCGUPFRVQAUEE-KVTDHHQDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O
ACDLabs 10.04O=CC(O)C(O)C(O)C(O)CO
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C=O)O)O)O)O)O
FormulaC6 H12 O6
NameD-mannose
ChEMBLCHEMBL1232295
DrugBankDB12907
ZINCZINC000002556396
PDB chain8wbv Chain A Residue 401 [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]
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)		R56 N184 F247 W308 W372 H377
Binding residue
(residue number reindexed from 1)		R58 N186 F249 W310 W374 H379
Annotation score1
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

[Back to BioLiP]