Structure of PDB 6ekw Chain A

Receptor sequence

>6ekwA (length=325)

GLPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRNG
VATPAQIINAVQEGFNFDNQAAIFATYAAHLVDGNLITDLLSIGRKTRLT
GPDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDYS
NRFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPAN
LFVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQAHP
MQPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLRK
ALNTNLDFLFQGVAAGCTQVFPYGR

3D structure

• PDB: 6ekw Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
• Chain: A
• Resolution: 1.43 Å

Enzymatic activity

• Enzyme Commision number: 1.11.2.1: unspecific peroxygenase.

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	HEM	A	P35 C36 P37 G38 L39 V63 F67 F69 T78 F121 E122 G123 S126 M127 T128 R189 E196 F199 L203 F204	P33 C34 P35 G36 L37 V61 F65 F67 T76 F119 E120 G121 S124 M125 T126 R187 E194 F197 L201 F202
BS02	MG	A	E122 G123 S126	E120 G121 S124
BS03	NPY	A	F69 A77 F121 T192 E196 F199	F67 A75 F119 T190 E194 F197

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0042744 hydrogen peroxide catabolic process
• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:6ekw, PDBe:6ekw, PDBj:6ekw
• PDBsum: 6ekw
• PubMed: 30376293
• UniProt: B9W4V6|APO1_CYCAE Aromatic peroxygenase (Gene Name=APO1)