Structure of PDB 5lie Chain B

Receptor sequence

>5lieB (length=397) Species: 1773 (Mycobacterium tuberculosis)

SGIDLTDLDNFADGFPHHLFAIHRREAPVYWHRPTEHTPDGEGFWSVATY
AETLEVLRDPVTYSSVTGGQRRFGGTVLQDLPVAGQVLNMMDDPRHTRIR
RLVSSGLTPRMIRRVEDDLRRRARGLLDGVEPGAPFDFVVEIAAELPMQM
ICILLGVPETDRHWLFEAVEPGFDFRGSRRATMPRLNVEDAGSRLYTYAL
ELIAGKRAEPADDMLSVVANPALSDAELYLFFHLLFSAGAETTRNSIAGG
LLALAENPDQLQTLRSDFELLPTAIEEIVRWTSPSPSKRRTASRAVSLGG
QPIEAGQKVVVWEGSANRDPSVFDRADEFDITRKPNPHLGFGQGVHYCLG
ANLARLELRVLFEELLSRFGSVRVVEPAEWTRSNRHTGIRHLVVELR

3D structure

• PDB: 5lie Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
• Chain: B
• Resolution: 1.799 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D181 A253 E256 T257 T258 C363 L364 G365 E372 H401
• Catalytic site (residue number reindexed from 1): D174 A238 E241 T242 T243 C348 L349 G350 E357 H386
• 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	B	H103 R107 A253 G254 T257 T258 S261 P299 K303 R305 G355 F356 G357 H361 C363 G365	H96 R100 A238 G239 T242 T243 S246 P284 K288 R290 G340 F341 G342 H346 C348 G350

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)