Structure of PDB 2xc3 Chain A

Receptor sequence
>2xc3A (length=409) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
SPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDG
GFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLN
MDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVE
QVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSA
ELIGYAMKMAEEKADIVTQLIQADIDGEKLSDDEFGFFVVMLAVAGNETT
RNSITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAFQRTALRD
YELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFGGTG
AHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKHWQV
DYTGRLPVA
3D structure
PDB2xc3 Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1.
ChainA
Resolution1.5 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G202 A268 E271 T272 T273 C377 I378 G379 T386 L415
Catalytic site (residue number reindexed from 1) G184 A245 E248 T249 T250 C354 I355 G356 T363 L392
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 HEM A L117 H124 R128 A268 G269 T272 T273 P312 F316 R318 G368 F369 G370 H375 C377 I378 G379 A383 L99 H106 R110 A245 G246 T249 T250 P289 F293 R295 G345 F346 G347 H352 C354 I355 G356 A360
BS02 RT8 A I97 F100 D108 Q112 L117 T201 V263 V267 W414 I79 F82 D90 Q94 L99 T183 V240 V244 W391 MOAD: Kd=1.68uM
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
View graph for
Biological Process
External links
PDB RCSB:2xc3, PDBe:2xc3, PDBj:2xc3
PDBsum2xc3
PubMed21109436
UniProtP9WPP1|CP125_MYCTU Steroid C26-monooxygenase (Gene Name=cyp125)

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