Structure of PDB 5fi3 Chain A

Receptor sequence

>5fi3A (length=344) Species: 4058 (Catharanthus roseus)

VYPVKAFGLAAKDSSGLFSPFNFSRRATGEHDVQLKVLYCGTCQYDREMS
KNKFGFTSYPYVLGHEIVGEVTEVGSKVQKFKVGDKVGVASIIETCGKCE
MCTNEVENYCPEAGSIDSNYGACSNIAVINENFVIRWPENLPLDSGVPLL
CAGITAYSPMKRYGLDKPGKRIGIAGLGGLGHVALRFAKAFGAKVTVISS
SLKKKREAFEKFGADSFLVSSNPEEMQGAAGTLDGIIDTIPGNHSLEPLL
ALLKPLGKLIILGAPEMPFEVPAPSLLMGGKVMAASTAGSMKEIQEMIEF
AAEHNIVADVEVISIDYVNTAMERLDNSDVRYRFVIDIGNTLKS

3D structure

• PDB: 5fi3 Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
• Chain: A
• Resolution: 1.05 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C54 Q55 Y56 E59 H76 E77 C107 C110 C113 C121 G125 C162 R344
• Catalytic site (residue number reindexed from 1): C43 Q44 Y45 E48 H65 E66 C96 C99 C102 C110 G114 C151 R333

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	A	Q55 E59 T166 G187 L188 G189 G190 L191 S210 S211 K215 T250 I251 P252 L273 G274 T298 S339	Q44 E48 T155 G176 L177 G178 G179 L180 S199 S200 K204 T239 I240 P241 L262 G263 T287 S328
BS02	ZN	A	C54 H76 E77 C162	C43 H65 E66 C151
BS03	ZN	A	C107 C110 C113 C121	C96 C99 C102 C110

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• 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:0045551 cinnamyl-alcohol dehydrogenase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009809 lignin biosynthetic process

External links

• PDB: RCSB:5fi3, PDBe:5fi3, PDBj:5fi3
• PDBsum: 5fi3
• PubMed: 27418042
• UniProt: A0A0F6SD02