Structure of PDB 5li7 Chain A

Receptor sequence

>5li7A (length=373) Species: 83331 (Mycobacterium tuberculosis CDC1551)

LSGIDLTDLDNFADGFPHHLFAIHRREAPVYWHRPTEHTPDGEGFWSVAT
YAETLEVLRDPVTYSSVTGGQRRFGGTVLQDLPVAGQVLNMMDDPRHTRI
RRLVSSGLTPRMIRRVEDDLRRRARGLLDGVEPGAPFDFVVEIAAELPMQ
MICILLGVPETDRHWLFEAVRLYTYALELIAGKRAEPADDMLSVVANALS
DAELYLFFHLLFSAGAETTRNSIAGGLLALAENPDQLQTLRSDFELLPTA
IEEIVRWTSPSPSKRRTASRAVSLGGQPIEAGQKVVVWEGSANRDPSVFD
RADEFDITRKPNPHLGFGQGVHYCLGANLARLELRVLFEELLSRFGSVRV
VEPAEWTRSNRHTGIRHLVVELR

3D structure

• PDB: 5li7 Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
• Chain: A
• Resolution: 1.58 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): A214 E217 T218 T219 C324 L325 G326 E333 H362
• 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 A253 T257 T258 S261 K303 R305 G355 F356 H361 C363 G365 A369	L89 N90 H97 R101 A214 T218 T219 S222 K264 R266 G316 F317 H322 C324 G326 A330
BS02	6XD	A	N96 L249 S252 A253	N90 L210 S213 A214

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:5li7, PDBe:5li7, PDBj:5li7
• PDBsum: 5li7
• PubMed: 27932461
• UniProt: P9WPN8|CP126_MYCTO Putative cytochrome P450 126 (Gene Name=cyp126)