Structure of PDB 5li8 Chain A

Receptor sequence

>5li8A (length=390) Species: 83331 (Mycobacterium tuberculosis CDC1551)

GLSGIDLTDLDNFADGFPHHLFAIHRREAPVYWHRPTEHTPDGEGFWSVA
TYAETLEVLRDPVTYSSVTFGGTVLQDLPVAGQVLNMMDDPRHTRIRRLV
SSGLTPRMIRRVEDDLRRRARGLLDGVEPGAPFDFVVEIAAELPMQMICI
LLGVPETDRHWLFEAVEPLNVEDAGSRLYTYALELIAGKRAEPADDMLSV
VANATIDDPDAPALSDAELYLFFHLLFSAGAETTRNSIAGGLLALAENPD
QLQTLRSDFELLPTAIEEIVRWTSPSPSKRRTASRAVSLGGQPIEAGQKV
VVWEGSANRDPSVFDRADEFDITRKPNPHLGFGQGVHYCLGANLARLELR
VLFEELLSRFGSVRVVEPAEWTRSNRHTGIRHLVVELRGG

3D structure

• PDB: 5li8 Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
• Chain: A
• Resolution: 1.83 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A253 E256 T257 T258 C363 L364 G365 E372 H401
• Catalytic site (residue number reindexed from 1): A229 E232 T233 T234 C339 L340 G341 E348 H377
• Enzyme Commision number: 1.14.-.-

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	L95 N96 H103 R107 L161 L250 T257 T258 S261 K303 R305 G355 F356 G357 H361 C363 G365 A369	L85 N86 H93 R97 L151 L226 T233 T234 S237 K279 R281 G331 F332 G333 H337 C339 G341 A345
BS02	KKK	A	P46 N96 F246 A253 S302 N399 R400	P41 N86 F222 A229 S278 N375 R376

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0005506 iron ion binding
• GO:0008395 steroid hydroxylase activity
• GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
• GO:0020037 heme binding
• GO:0036199 cholest-4-en-3-one 26-monooxygenase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006707 cholesterol catabolic process

External links

• PDB: RCSB:5li8, PDBe:5li8, PDBj:5li8
• PDBsum: 5li8
• PubMed: 27932461
• UniProt: P9WPN8|CP126_MYCTO Putative cytochrome P450 126 (Gene Name=cyp126)