Structure of PDB 7qwn Chain B

Receptor sequence
>7qwnB (length=407) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
SPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDG
GFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLN
MDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVE
QVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSA
ELIGYAMKMAEEKAKNPADDIVTQLIQADGEKLSDDEFGFFVVMLAVAGN
ETTRNSITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAFQRTA
LRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFG
GTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKH
WQVDYTG
3D structure
PDB7qwn Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
ChainB
Resolution1.93 Å
3D
structure
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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 DQE B I97 V267 A268 T272 W414 I79 V247 A248 T252 W394
BS02 HEM B L117 R128 A268 G269 T272 T273 P312 F316 R318 G368 F369 G370 H375 C377 I378 G379 A383 L99 R110 A248 G249 T252 T253 P292 F296 R298 G348 F349 G350 H355 C357 I358 G359 A363
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7qwn, PDBe:7qwn, PDBj:7qwn
PDBsum7qwn
PubMed36912255
UniProtP9WPP1|CP125_MYCTU Steroid C26-monooxygenase (Gene Name=cyp125)

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