Structure of PDB 1kdg Chain A Binding Site BS03

Receptor Information
>1kdg Chain A (length=541) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTKQTGGTYVAPWA
TSSGLTKFDIPGLFESLFTDSNPFWWCKDITVFAGCLVGGGTSVNGALYW
YPNDGDFSSSVGWPSSWTNHAPYTSKLSSRLPSTDHPSTDGQRYLEQSFN
VVSQLLKGQGYNQATINDNPNYKDHVFGYSAFDFLNGKRAGPVATYLQTA
LARPNFTFKTNVMVSNVVRNGSQILGVQTNDPTLGPNGFIPVTPKGRVIL
SAGAFGTSRILFQSGIGPTDMIQTVQSNPTAAAALPPQNQWINLPVGMNA
QDNPSINLVFTHPSIDAYENWADVWSNPRPADAAQYLANQSGVFAGASPK
LNFWRAYSGSDGFTRYAQGTVRPGAASVNSSLPYNASQIFTITVYLSTGI
QSRGRIGIDAALRGTVLTPPWLVNPVDKTVLLQALHDVVSNIGSIPGLTM
ITPDVTQTLEEYVDAYDPATMNSNHWVSSTTIGSSPQSAVVDSNVKVFGT
NNLFIVDAGIIPHLPTGNPQGTLMSAAEQAAAKILALAGGP
Ligand information
Ligand IDEMT
InChIInChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1
InChIKeyHXQVQGWHFRNKMS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccccc1S[Hg]CC
CACTVS 3.341CC[Hg]Sc1ccccc1C(O)=O
OpenEye OEToolkits 1.5.0CC[Hg]Sc1ccccc1C(=O)O
FormulaC9 H10 Hg O2 S
Name2-(ETHYLMERCURI-THIO)-BENZOIC ACID
ChEMBL
DrugBankDB02731
ZINC
PDB chain1kdg Chain A Residue 6907 [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]
PDB1kdg Crystal Structure of the Flavoprotein Domain of the Extracellular Flavocytochrome Cellobiose Dehydrogenase
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N507 L508 P700 G713
Binding residue
(residue number reindexed from 1)		N293 L294 P486 G499
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y609 H689 N732
Catalytic site (residue number reindexed from 1) Y395 H475 N518
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)

[Back to BioLiP]