Structure of PDB 7bu3 Chain B

Receptor sequence

>7bu3B (length=337) Species: 562 (Escherichia coli)

MIKSYAAKEAGGELEVYEYDPGELRPQDVEVQVDYCGICHSDLSMIDNEW
GFSQYPLVAGHEVIGRVVALGSAAQDKGLQVGQRVGIGWTARSCGHCDAC
ISGNQINCEQGAVPTIMNRGGFAEKLRADWQWVIPLPENIDIESAGPLLC
GGITVFKPLLMHHITATSRVGVIGIGGLGHIAIKLLHAMGCEVTAFSSNP
AKEQEVLAMGADKVVNSRDPQALKALAGQFDLIINTVNVSLDWQPYFEAL
TYGGNFHTVGAVLTPLSVPAFTLIAGDRSVSGSATGTPYELRKLMRFAAR
SKVAPTTELFPMSKINDAIQHVRDGKARYRVVLKADY

3D structure

• PDB: 7bu3 Structural Basis for Broad Substrate Selectivity of Alcohol Dehydrogenase YjgB from Escherichia coli .
• Chain: B
• 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	NAP	B	C41 H42 S43 W52 C152 T156 G176 I177 G178 G179 L180 S199 S200 K204 R220 T238 V239 V241 V261 G262 A263 A286 T287 R332	C39 H40 S41 W50 C150 T154 G174 I175 G176 G177 L178 S197 S198 K202 R218 T236 V237 V239 V259 G260 A261 A284 T285 R330
BS02	ZN	B	C41 H63 C152	C39 H61 C150
BS03	ZN	B	C96 C99 C102 C110	C94 C97 C100 C108

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)