Structure of PDB 8gy2 Chain A Binding Site BS03

Receptor Information
>8gy2 Chain A (length=723) Species: 290633 (Gluconobacter oxydans 621H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEDTGTAITSSDNGGHPGDWLSYGRSYSEQRYSPLDQINTENVGKLKLAW
HYDLDTNRGQEGTPLIVNGVMYATTNWSKMKALDAATGKLLWSYDPKVPG
NIADRGCCDTVSRGAAYWNGKVYFGTFDGRLIALDAKTGKLVWSVYTIPK
EAQLGHQRSYTVDGAPRIAKGKVLIGNGGAEFGARGFVSAFDAETGKLDW
RFFTVPNPENKPDGAASDDILMSKAYPTWGKNGAWKQQGGGGTVWDSLVY
DPVTDLVYLGVGNGSPWNYKFRSEGKGDNLFLGSIVAINPDTGKYVWHFQ
ETPMDEWDYTSVQQIMTLDMPVNGEMRHVIVHAPKNGFFYIIDAKTGKFI
TGKPYTYENWANGLDPVTGRPNYVPDALWTLTGKPWLGIPGELGGHNFAA
MAYSPKTKLVYIPAQQIPLLYDGQKGGFKAYHDAWNLGLDMNKIGLFDDN
DPEHVAAKKDFLKVLKGWTVAWDPEKMAPAFTINHKGPWNGGLLATAGNV
IFQGLANGEFHAYDATNGNDLYSFPAQSAIIAPPVTYTANGKQYVAVEVG
WGGIYPFLYGGVARTSGWTVNHSRVIAFSLDGKDSLPPKNELGFTPVKPV
PTYDEARQKDGYFMYQTFCSACHGDNAISGGVLPDLRWSGAPRGRESFYK
LVGRGALTAYGMDRFDTSMTPEQIEDIRNFIVKRANESYDDEVKARENST
GVPNDQFLNVPQSTADVPTADHP
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 chain8gy2 Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8gy2 Experimental and Theoretical Insights into Bienzymatic Cascade for Mediatorless Bioelectrochemical Ethanol Oxidation with Alcohol and Aldehyde Dehydrogenases
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E215 N297 D342
Binding residue
(residue number reindexed from 1)		E181 N263 D308
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.5.5: alcohol dehydrogenase (quinone).
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0009055 electron transfer activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0020037 heme binding
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8gy2, PDBe:8gy2, PDBj:8gy2
PDBsum8gy2
PubMed
UniProtO05542|ADHA_GLUOX Alcohol dehydrogenase (quinone), dehydrogenase subunit (Gene Name=adhA)

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