Structure of PDB 7bvp Chain B

Receptor sequence

>7bvpB (length=869) Species: 83333 (Escherichia coli K-12)

MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLA
KMAVAESGMGIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITI
AEPIGIICGIVPTTNPTSTAIFKSLISLKTRNAIIFSPHPRAKDATNKAA
DIVLQAAIAAGAPKDLIGWIDQPSVELSNALMHHPDINLILATGGPGMVK
AAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTFDNGVICASEQ
SVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQP
AYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFE
DAVEKAEKLVAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPA
SQGGIGDLYNFKLAPSLTLGCGSWGGNSISENVGPKHLINKKTVAKRAEN
MLWHKLPKSIYFRRGSLPIALDEVITDGHKRALIVTDRFLFNNGYADQIT
SVLKAAGVETEVFFEVEADPTLSIVRKGAELANSFKPDVIIALGGGSPMD
AAKIMWVMYEHPETHFEELALRFMDIRKRIYKFPKMGVKAKMIAVTTTSG
TGSEVTPFAVVTDDATGQKYPLADYALTPDMAIVDANLVMDMPKSLCAFG
GLDAVTHAMEAYVSVLASEFSDGQALQALKLLKEYLPASYHEGSKNPVAR
ERVHSAATIAGIAFANAFLGVCHSMAHKLGSQFHIPHGLANALLICNVIR
YNANDNPTKQTAFSQYDRPQARRRYAEIADHLGLSAPGDRTAAKIEKLLA
WLETLKAELGIPKSIREAGVQEADFLANVDKLSEDAFDDQCTGANPRYPL
ISELKQILLDTYYGRDYVE

3D structure

• PDB: 7bvp Aldehyde-alcohol dehydrogenase undergoes structural transition to form extended spirosomes for substrate channeling.
• Chain: B
• Resolution: 3.45 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.1: alcohol dehydrogenase.
  1.2.1.10: acetaldehyde dehydrogenase (acetylating).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAD	B	I110 P112 T113 T114 P138 H139 G194 G195 M198 V212 G213 A214 C246 E335 L337 H367 L419	I110 P112 T113 T114 P138 H139 G194 G195 M198 V212 G213 A214 C246 E335 L337 H367 L419
BS02	NAD	B	D487 F489 G546 S547 D550 T598 T601 S603 F608 V610 K619 L646 F714 H737	D487 F489 G546 S547 D550 T598 T601 S603 F608 V610 K619 L646 F714 H737
BS03	ZN	B	D653 H657 H723 H737	D653 H657 H723 H737

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

External links

• PDB: RCSB:7bvp, PDBe:7bvp, PDBj:7bvp
• PDBsum: 7bvp
• PubMed: 32523125
• UniProt: P0A9Q7|ADHE_ECOLI Bifunctional aldehyde-alcohol dehydrogenase AdhE (Gene Name=adhE)