Structure of PDB 7wmd Chain A Binding Site BS01

Receptor Information
>7wmd Chain A (length=531) Species: 429726 (Devosia albogilva) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADGAAAETAAPGQSAIENFQPVTAEDLAGGNAANWPILRGNYQGWGYTQL
DQINKDNVGQLQLAWARTMEPGSNEGSAIAYNGVVFLGNANDVVQAIDGK
TGNLIWEYRRKAAKRSIALFGDKVYFVSWDNFVVALDAKTGKLAWETNRG
NSSGPIVVDGVVIAGSTCQCYVTGTDAESGEELWRNTFIPRPGEEGDDTW
GGAPYENRWMTGAWGQITYDPELDLVYYGSTGAGPASEVQRGTEGGTLAG
TNTRFAVKPKTGEVVWKHQTLPRDNWDSECTFEMMVVSTTVNPDAGADGM
MSVGANVPRGETRKVLTGVPCKTGVAWQFDAETGDYFWSKATVEQNSIAS
IDDKGLVTVNEDMILKEPGKDYNYCPTFLGGRDWPSAGYLPKSNLYVIPL
SNACYDLVKLAPGKTNMGRVDAIDVATGATKWSFETEAALYDPVMTTAGD
LVFVGSTDRMFRALDAETGKEVWSTRLPGAISGYTTSYSIDGRQYVAVVA
GGSLGTGFFKAAVPGVDAVQGGNGIYVFALP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7wmd Chain A Residue 601 [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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PDB7wmd Structure-Function Analysis of a Quinone-Dependent Dehydrogenase Capable of Deoxynivalenol Detoxification.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D398 N400 D433
Binding residue
(residue number reindexed from 1)		D371 N373 D406
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7wmd, PDBe:7wmd, PDBj:7wmd
PDBsum7wmd
PubMed35613468
UniProtA0A6B8QJ68

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