Structure of PDB 7qwn Chain A

Receptor sequence
>7qwnA (length=411) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
GPSPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFH
DGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVM
LNMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDF
VEQVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKAS
SAELIGYAMKMAEEKAKNPADDIVTQLIQADIDGEKLSDDEFGFFVVMLA
VAGNETTRNSITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAF
QRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPH
VGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLN
GIKHWQVDYTG
3D structure
PDB7qwn Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
ChainA
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 A D108 V111 K214 S217 D92 V95 K198 S201
BS02 HEM A M116 L117 H124 R128 F135 M264 L265 A268 G269 T272 T273 P312 F316 R318 G368 F369 G370 H375 C377 I378 G379 M100 L101 H108 R112 F119 M248 L249 A252 G253 T256 T257 P296 F300 R302 G352 F353 G354 H359 C361 I362 G363
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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