Structure of PDB 7qke Chain A

Receptor sequence
>7qkeA (length=409) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
SPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDG
GFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLN
MDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQAIAAEAAAAGSGDFVE
QVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSA
ELIGYAMKMAEEKAKNPADDIVTQLIQADIDGEKLSDDEFGFFVVMLAVA
GNETTRNSITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAFQR
TALRDYELSGVQIAAGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVG
FGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGI
KHWQVDYTG
3D structure
PDB7qke Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
ChainA
Resolution2.3 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 E1V A D108 V111 L117 M200 V263 V267 W414 D90 V93 L99 M182 V245 V249 W396
BS02 HEM A M116 H124 R128 F135 M264 A268 G269 T272 T273 P312 F316 R318 G368 F369 H375 C377 G379 A383 M98 H106 R110 F117 M246 A250 G251 T254 T255 P294 F298 R300 G350 F351 H357 C359 G361 A365
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:7qke, PDBe:7qke, PDBj:7qke
PDBsum7qke
PubMed36912255
UniProtP9WPP1|CP125_MYCTU Steroid C26-monooxygenase (Gene Name=cyp125)

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