Structure of PDB 2w0a Chain A

Receptor sequence
>2w0aA (length=424) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
AVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDELGDVGTFQLAGKQVVL
LSGSHANEFFFRAGDDDLDQAKAYPFMTPIFGEAVVFRGEQMKGHAATIE
DQVRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKL
YHELERGTDPLAYVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPDR
DMLDVLIAVKAGTPRFSADEITGMFISMMFAGHHTSSGTASWTLIELMRH
RDAYAAVIDELDELYGDGRSVSFHALRQIPQLENVLKETLRLHPPLIILM
RVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFPDPHDFVPARYEQPRQ
EDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMAQPPES
YRNDHSKMVVQLAQPAAVRYRRRT
3D structure
PDB2w0a Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
ChainA
Resolution1.6 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T260 S261 F387 C394
Catalytic site (residue number reindexed from 1) T235 S236 F362 C369
Enzyme Commision number 1.14.15.36: sterol 14alpha-demethylase (ferredoxin).
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 Q72 G257 T260 P320 L321 L324 R326 P386 F387 G388 H392 C394 V395 G396 A400 T449 Q70 G232 T235 P295 L296 L299 R301 P361 F362 G363 H367 C369 V370 G371 A375 T424
BS02 CII A Q72 Y76 F78 M79 A256 L321 Q70 Y74 F76 M77 A231 L296
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0008398 sterol 14-demethylase activity
GO:0016491 oxidoreductase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0016125 sterol metabolic process
GO:0016126 sterol biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:2w0a, PDBe:2w0a, PDBj:2w0a
PDBsum2w0a
PubMed19190730
UniProtP9WPP9|CP51_MYCTU Sterol 14alpha-demethylase (Gene Name=cyp51)

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