Structure of PDB 7bvp Chain B Binding Site BS03

Receptor Information
>7bvp Chain B (length=869) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLA
KMAVAESGMGIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITI
AEPIGIICGIVPTTNPTSTAIFKSLISLKTRNAIIFSPHPRAKDATNKAA
DIVLQAAIAAGAPKDLIGWIDQPSVELSNALMHHPDINLILATGGPGMVK
AAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTFDNGVICASEQ
SVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQP
AYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFE
DAVEKAEKLVAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPA
SQGGIGDLYNFKLAPSLTLGCGSWGGNSISENVGPKHLINKKTVAKRAEN
MLWHKLPKSIYFRRGSLPIALDEVITDGHKRALIVTDRFLFNNGYADQIT
SVLKAAGVETEVFFEVEADPTLSIVRKGAELANSFKPDVIIALGGGSPMD
AAKIMWVMYEHPETHFEELALRFMDIRKRIYKFPKMGVKAKMIAVTTTSG
TGSEVTPFAVVTDDATGQKYPLADYALTPDMAIVDANLVMDMPKSLCAFG
GLDAVTHAMEAYVSVLASEFSDGQALQALKLLKEYLPASYHEGSKNPVAR
ERVHSAATIAGIAFANAFLGVCHSMAHKLGSQFHIPHGLANALLICNVIR
YNANDNPTKQTAFSQYDRPQARRRYAEIADHLGLSAPGDRTAAKIEKLLA
WLETLKAELGIPKSIREAGVQEADFLANVDKLSEDAFDDQCTGANPRYPL
ISELKQILLDTYYGRDYVE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7bvp Chain B Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bvp Aldehyde-alcohol dehydrogenase undergoes structural transition to form extended spirosomes for substrate channeling.
Resolution3.45 Å
Binding residue
(original residue number in PDB)		D653 H657 H723 H737
Binding residue
(residue number reindexed from 1)		D653 H657 H723 H737
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
1.2.1.10: acetaldehyde dehydrogenase (acetylating).
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0005515 protein binding
GO:0008198 ferrous iron binding
GO:0008774 acetaldehyde dehydrogenase (acetylating) activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0018455 alcohol dehydrogenase [NAD(P)+] activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006066 alcohol metabolic process
GO:0006115 ethanol biosynthetic process
GO:0006979 response to oxidative stress
GO:0015976 carbon utilization
GO:0019664 mixed acid fermentation
GO:0051260 protein homooligomerization
Cellular Component
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bvp, PDBe:7bvp, PDBj:7bvp
PDBsum7bvp
PubMed32523125
UniProtP0A9Q7|ADHE_ECOLI Bifunctional aldehyde-alcohol dehydrogenase AdhE (Gene Name=adhE)

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