Structure of PDB 6ekz Chain A

Receptor sequence

>6ekzA (length=325)

GLPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRNG
VATPAQIINAVQEGFNFDNQAAIFATYAAHLVDGNLITDLLSIGRKTRLT
GPDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDYS
NRFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPAN
LFVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQAHP
MQPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLRK
ALNTNLDFLFQGVAAGCTQVFPYGR

3D structure

• PDB: 6ekz Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
• Chain: A
• Resolution: 1.08 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	C36 P37 G38 L39 V63 F67 F69 F121 E122 G123 S126 M127 T128 R189 E196 F199 F204	C34 P35 G36 L37 V61 F65 F67 F119 E120 G121 S124 M125 T126 R187 E194 F197 F202
BS02	MG	A	E122 G123 S126	E120 G121 S124
BS03	SNP	A	D70 G195 S240 G241	D68 G193 S238 G239
BS04	SNP	A	F76 F191 P277 M280	F74 F189 P275 M278
BS05	SNP	A	R220 F225	R218 F223
BS06	SNP	A	R301 Y325	R299 Y323

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