Structure of PDB 4gkv Chain D

Receptor sequence

>4gkvD (length=336) Species: 83333 (Escherichia coli K-12)

MKAAVVTKDHHVDVTYKTLRSLKHGEALLKMECCGVCHTDLHVKNGDFGD
KTGVILGHEGIGVVAEVGPGVTSLKPGDRASVAWFYEGCGHCEYCNSGNE
TLCRSVKNAGYSVDGGMAEECIVVADYAVKVPDGLDSAAASSITCAGVTT
YKAVKLSKIRPGQWIAIYGLGGLGNLALQYAKNVFNAKVIAIDVNDEQLK
LATEMGADLAINSHTEDAAKIVQEKTGGAHAAVVTAVAKAAFNSAVDAVR
AGGRVVAVGLPPESMSLDIPRLVLDGIEVVGSLVGTRQDLTEAFQFAAEG
KVVPKVALRPLADINTIFTEMEEGKIRGRMVIDFRH

3D structure

• PDB: 4gkv Structure of Escherichia coli AdhP (ethanol-inducible dehydrogenase) with bound NAD.
• Chain: D
• Resolution: 2.008 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C37 H38 T39 H42 H58 E59 C89 C92 C95 C103 K107 C145 T149 R329
• Catalytic site (residue number reindexed from 1): C37 H38 T39 H42 H58 E59 C89 C92 C95 C103 K107 C145 T149 R329
• Enzyme Commision number: 1.1.1.1: alcohol dehydrogenase.

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	D	C37 H38 T39 H42 C145 T149 G169 G171 G172 L173 D193 Q198 T235 A236 V237 V258 G259 L260 L283 V284 R329	C37 H38 T39 H42 C145 T149 G169 G171 G172 L173 D193 Q198 T235 A236 V237 V258 G259 L260 L283 V284 R329
BS02	ZN	D	C37 H58 C145	C37 H58 C145
BS03	ZN	D	C89 C92 C95 C103	C89 C92 C95 C103

Gene Ontology

Molecular Function

• GO:0004022 alcohol dehydrogenase (NAD+) activity
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0046872 metal ion binding
• GO:0047639 alcohol oxidase activity

Biological Process

• GO:0006974 DNA damage response
• GO:0045471 response to ethanol
• GO:0046187 acetaldehyde catabolic process

External links

• PDB: RCSB:4gkv, PDBe:4gkv, PDBj:4gkv
• PDBsum: 4gkv
• PubMed: 23832197
• UniProt: P39451|ADHP_ECOLI Alcohol dehydrogenase, propanol-preferring (Gene Name=adhP)