Structure of PDB 7zsu Chain B

Receptor sequence

>7zsuB (length=402) Species: 83332 (Mycobacterium tuberculosis H37Rv)

SPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDG
GFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLN
MDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVE
QVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSA
ELIGYAMKMAEEKAKNDDIVTQLIEKLSDDEFGFFVVMLAVAGNETTRNS
ITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAFQRTALRDYEL
SGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFGGTGAHY
CIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKHWQVDYT
GR

3D structure

• PDB: 7zsu Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
• Chain: B
• Resolution: 2.2 Å

Enzymatic activity

• Enzyme Commision number: 1.14.15.29: cholest-4-en-3-one 26-monooxygenase [(25S)-3-oxocholest-4-en-26-oate forming].

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	JV3	B	I97 Q112 V267 A268 T272 F316 W414	I79 Q94 V241 A242 T246 F290 W388
BS02	HEM	B	M116 L117 H124 R128 F135 L265 A268 G269 T272 P312 F316 R318 G368 F369 G370 H375 C377 I378 G379	M98 L99 H106 R110 F117 L239 A242 G243 T246 P286 F290 R292 G342 F343 G344 H349 C351 I352 G353

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
• GO:0008203 cholesterol metabolic process
• GO:0016042 lipid catabolic process
• GO:0051701 biological process involved in interaction with host

External links

• PDB: RCSB:7zsu, PDBe:7zsu, PDBj:7zsu
• PDBsum: 7zsu
• PubMed: 36912255
• UniProt: P9WPP1|CP125_MYCTU Steroid C26-monooxygenase (Gene Name=cyp125)