Structure of PDB 5lie Chain A

Receptor sequence

>5lieA (length=379) Species: 1773 (Mycobacterium tuberculosis)

LSGIDLTDLDNFADGFPHHLFAIHRREAPVYWHRPTEHTPDGEGFWSVAT
YAETLEVLRDPVTYSSVTGGQRRFGGTVLQDLPVAGQVLNMMDDPRHTRI
RRLVSSGLTPRMIRRVEDDLRRRARGLLDGVEPGAPFDFVVEIAAELPMQ
MICILLGVPETDRHWLFEAVVEDAGSRLYTYALELIAGKRAEPADDMLSV
VANALSDAELYLFFHLLFSAGAETTRNSIAGGLLALAENPDQLQTLRSDF
ELLPTAIEEIVRWTSPSPSKRRTASRAVSLGGQPIEAGQKVVVWEGSANR
DPSVFDRADEFDITRKPNPHLGFGQGVHYCLGANLARLELRVLFEELLSR
FGSVRVVEPAEWTRSNRHTGIRHLVVELR

3D structure

• PDB: 5lie Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
• Chain: A
• Resolution: 1.799 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): A220 E223 T224 T225 C330 L331 G332 E339 H368
• 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 P299 K303 R305 G355 F356 H361 C363 G365 A369	L89 N90 H97 R101 A220 T224 T225 P266 K270 R272 G322 F323 H328 C330 G332 A336
BS02	IMD	A	L249 A253 T257	L216 A220 T224

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