Structure of PDB 7bu3 Chain A

Receptor sequence

>7bu3A (length=336) Species: 562 (Escherichia coli)

SMIKSYAAKEAGGELEVYEYDPGELRPQDVEVQVDYCGICHSDLSMIDNE
WGFSQYPLVAGHEVIGRVVALGSAAQDKGLQVGQRVGIGWTARSCGHCDA
CISGNQINCEQGAVPTIMNRGGFAEKLRADWQWVIPLPENIDIESAGPLL
CGGITVFKPLLMHHITATSRVGVIGIGGLGHIAIKLLHAMGCEVTAFSSN
PAKEQEVLAMGADKVVNSRDPQALKALAGQFDLIINTVNVSLDWQPYFEA
LTYGGNFHTVGAVLTPLSVPAFTLIAGDRSVSGSATGTPYELRKLMRFAA
RSKVAPTTELFPMSKINDAIQHVRDGKARYRVVLKA

3D structure

• PDB: 7bu3 Structural Basis for Broad Substrate Selectivity of Alcohol Dehydrogenase YjgB from Escherichia coli .
• Chain: A
• Resolution: 2.0 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.2: alcohol dehydrogenase (NADP(+)).

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	ASP	A	S315 A337	S314 A336
BS02	NAP	A	C41 H42 S43 W52 C152 T156 G176 I177 G178 G179 L180 S199 S200 K204 T238 V239 V241 V261 G262 A286 T287 R332	C40 H41 S42 W51 C151 T155 G175 I176 G177 G178 L179 S198 S199 K203 T237 V238 V240 V260 G261 A285 T286 R331
BS03	ZN	A	C41 H63 E64 C152	C40 H62 E63 C151
BS04	ZN	A	C96 C99 C102 C110	C95 C98 C101 C109

Gene Ontology

Molecular Function

• GO:0008106 alcohol dehydrogenase (NADP+) 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:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006631 fatty acid metabolic process

External links

• PDB: RCSB:7bu3, PDBe:7bu3, PDBj:7bu3
• PDBsum: 7bu3
• PubMed: 32455802
• UniProt: P27250|AHR_ECOLI Aldehyde reductase Ahr (Gene Name=ahr)