Structure of PDB 7vzs Chain A Binding Site BS04

Receptor Information
>7vzs Chain A (length=566) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTYDYIVVGGGTSGLVVANRLSENPDVSVLLLEAGASVFNNPDVTNANG
YGLAFGSAIDWQYQSINQSYAGGKQQVLRAGKALGGTSTINGMAYTRAED
VQIDVWQKLGNEGWTWKDLLPYYLKSENLTAPTSSQVAAGAAYNPAVNGK
EGPLKVGWSGSLASGNLSVALNRTFQAAGVPWVEDVNGGKMRGFNIYPST
LDVDLNVREDAARAYYFPYDDRKNLHLLENTTANRLFWKNGSAEEAIADG
VEITSADGKVTRVHAKKEVIISAGALRSPLILELSGVGNPTILKKNNITP
RVDLPTVGENLQDQFNNGMAGEGYGVLAGASTVTYPSISDVFGNETDSIV
ASLRSQLSDYAAATVKVSNGHMKQEDLERLYQLQFDLIVKDKVPIAEILF
HPGGGNAVSSEFWGLLPFARGNIHISSNDPTAPAAINPNYFMFEWDGKSQ
AGIAKYIRKILRSAPLNKLIAKETKPGLSEIPATAADEKWVEWLKANYRS
NFHPVGTAAMMPRSIGGVVDNRLRVYGTSNVRVVDASVLPFQVCGHLVST
LYAVAERASDLIKEDA
Ligand information
Ligand IDDGO
InChIInChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
InChIKeyYVECGMZCTULTIS-PBXRRBTRSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C=1OC(C(C(C=1)O)O)CO
CACTVS 3.385OC[CH]1OC=C[CH](O)[CH]1O
OpenEye OEToolkits 2.0.4C1=COC(C(C1O)O)CO
CACTVS 3.385OC[C@H]1OC=C[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4C1=CO[C@@H]([C@H]([C@@H]1O)O)CO
FormulaC6 H10 O4
NameD-glucal
ChEMBLCHEMBL2115567
DrugBank
ZINCZINC000004284522
PDB chain7vzs Chain A Residue 604 [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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PDB7vzs Conformational change of catalytic residue in reduced enzyme of FAD-dependent Glucose Dehydrogenase at pH6.5
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y9 L25 N28 K566 A569
Binding residue
(residue number reindexed from 1)		Y6 L22 N25 K563 A566
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
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:7vzs, PDBe:7vzs, PDBj:7vzs
PDBsum7vzs
PubMed
UniProtA0A1S9DW10

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