Structure of PDB 1kdg Chain B Binding Site BS01

Receptor Information
>1kdg Chain B (length=546) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTVSATPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTKQTGGTY
VAPWATSSGLTKFDIPGLFESLFTDSNPFWWCKDITVFAGCLVGGGTSVN
GALYWYPNDGDFSSSVGWPSSWTNHAPYTSKLSSRLPSTDHPSTDGQRYL
EQSFNVVSQLLKGQGYNQATINDNPNYKDHVFGYSAFDFLNGKRAGPVAT
YLQTALARPNFTFKTNVMVSNVVRNGSQILGVQTNDPTLGPNGFIPVTPK
GRVILSAGAFGTSRILFQSGIGPTDMIQTVQSNPTAAAALPPQNQWINLP
VGMNAQDNPSINLVFTHPSIDAYENWADVWSNPRPADAAQYLANQSGVFA
GASPKLNFWRAYSGSDGFTRYAQGTVRPGAASVNSSLPYNASQIFTITVY
LSTGIQSRGRIGIDAALRGTVLTPPWLVNPVDKTVLLQALHDVVSNIGSI
PGLTMITPDVTQTLEEYVDAYDPATMNSNHWVSSTTIGSSPQSAVVDSNV
KVFGTNNLFIVDAGIIPHLPTGNPQGTLMSAAEQAAAKILALAGGP
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 chain1kdg Chain B Residue 806 [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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PDB1kdg Crystal Structure of the Flavoprotein Domain of the Extracellular Flavocytochrome Cellobiose Dehydrogenase
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S213 A214
Binding residue
(residue number reindexed from 1)		S4 A5
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Y609 H689 N732
Catalytic site (residue number reindexed from 1) Y400 H480 N523
Enzyme Commision number 1.1.99.18: cellobiose dehydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050660 flavin adenine dinucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:1kdg, PDBe:1kdg, PDBj:1kdg
PDBsum1kdg
PubMed11786022
UniProtQ01738|CDH_PHACH Cellobiose dehydrogenase (Gene Name=CDH-1)

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