Structure of PDB 4was Chain B

Receptor sequence

>4wasB (length=364) Species: 5482 (Candida tropicalis)

MITAQAVLYTQHGEPKDVLFTQSFEIDDDNLAPNEVIVKTLGSPVNPSDI
NQIQGVYPSKPAKTTGFGTTEPAAPCGNEGLFEVIKVGSNVSSLEAGDWV
IPSHVNFGTWRTHALGNDDDFIKLPNPAQSKANGKPNGLTINQGATISVN
PLTAYLMLTHYVKLTPGKDWFIQNGGTSAVGKYASQIGKLLNFNSISVIR
DRPNLDEVVASLKELGATQVITEDQNNSREFGPTIKEWIKQSGGEAKLAL
NCVGGKSSTGIARKLNNNGLMLTYGGMSFQPVTIPTSLYIFKNFTSAGFW
VTELLKNNKELKTSTLNQIIAWYEEGKLTDAKSIETLYDGTKPLHELYQD
GVANSKDGKQLITY

3D structure

• PDB: 4was The use of ene adducts to study and engineer enoyl-thioester reductases.
• Chain: B
• Resolution: 1.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y79
• Catalytic site (residue number reindexed from 1): Y57
• Enzyme Commision number: 1.3.1.104: enoyl-[acyl-carrier-protein] reductase.

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	COO	B	P307 T308 S309	P285 T286 S287
BS02	NAP	B	P69 V171 N172 T175 G197 T199 S200 A201 V202 R222 R224 Y296 M299 W322 V323 K381	P47 V149 N150 T153 G175 T177 S178 A179 V180 R200 R202 Y274 M277 W300 V301 K359
BS03	COO	B	P69 N73 G297 G298 M299 F301	P47 N51 G275 G276 M277 F279

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0019166 trans-2-enoyl-CoA reductase (NADPH) activity
• GO:0141148 enoyl-[acyl-carrier-protein] reductase (NADPH) activity

Biological Process

• GO:0006631 fatty acid metabolic process
• GO:0006633 fatty acid biosynthetic process

Cellular Component

• GO:0005739 mitochondrion

External links

• PDB: RCSB:4was, PDBe:4was, PDBj:4was
• PDBsum: 4was
• PubMed: 25867044
• UniProt: Q8WZM3|ETR1_CANTR Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial (Gene Name=ETR1)