Structure of PDB 6tij Chain AAA

Receptor sequence

>6tijAAA (length=500) Species: 5061 (Aspergillus niger)

QPAHLCFRSFVEALKVDNDLVEINTPIDPNLEAAAITRRVCETNDKAPLF
NNLIGMKNGLFRILGAPGSLRKSSADRYGRLARHLALPPTASMREILDKM
LSASDMPPIPPTIVPTGPCKENSLDDSEFDLTELPVPLIHKSDGGKYIQT
YGMHIVQSPDGTWTNWSIARAMVHDKNHLTGLVIPPQHIWQIHQMWKKEG
RSDVPWALAFGVPPAAIMASSMPIPDGVTEAGYVGAMTGSSLELVKCDTN
DLYVPATSEIVLEGTLSISETGPEGPFGEMHGYIFPGDTHLGAKYKVNRI
TYRNNAIMPMSSCGRLTDETHTMIGSLAAAEIRKLCQQNDLPITDAFAPF
ESQVTWVALRVDTEKLRAMKTTSEGFRKRVGDVVFNHKAGYTIHRLVLVG
DDIDVYEGKDVLWAFSTRCRPGMDETLFEDVRGFPLIPYMGHGNGPAHRG
GKVVSDALMPTEYTTGRNWEAADFNQSYPEDLKQKVLDNWTKMGFSHHHH

3D structure

• PDB: 6tij Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
• Chain: AAA
• Resolution: 1.12 Å

Enzymatic activity

• Enzyme Commision number: 4.1.1.102: phenacrylate decarboxylase.

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	MN	AAA	N168 H191 E233	N165 H188 E230
BS02	BYN	AAA	T153 N168 S170 I171 A172 R173 Q190 H191 S223 S224 M225 P226 I327 K391	T150 N165 S167 I168 A169 R170 Q187 H188 S220 S221 M222 P223 I324 K388
BS03	ICB	AAA	R173 Q190 E282 M283 F437 L439	R170 Q187 E279 M280 F434 L436
BS04	ICB	AAA	H293 P438 G444 A450 H451	H290 P435 G441 A447 H448

Gene Ontology

Molecular Function

• GO:0016831 carboxy-lyase activity
• GO:0030145 manganese ion binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0009074 aromatic amino acid family catabolic process
• GO:0018966 styrene metabolic process
• GO:0033494 ferulate metabolic process
• GO:0046281 cinnamic acid catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6tij, PDBe:6tij, PDBj:6tij
• PDBsum: 6tij
• PubMed: 32719558
• UniProt: A2QHE5|FDC1_ASPNC Ferulic acid decarboxylase 1 (Gene Name=fdc1)