Structure of PDB 2ij7 Chain B

Receptor sequence
>2ij7B (length=391) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
LLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVL
EDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPK
APGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQE
DGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGE
LSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQL
RNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELV
LVLLEGANFDPEHFPNPGSIELDRPNPTSHLAFGRGQHFCPGSALGRRHA
QIGIEALLKKMPGVDLAVPIDQLVWRTRFQRRIPERLPVLW
3D structure
PDB2ij7 Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
ChainB
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S170 A233 I236 S237 T238 C345 P346 G347 H354 R386
Catalytic site (residue number reindexed from 1) S165 A228 I231 S232 T233 C340 P341 G342 H349 R381
Enzyme Commision number 1.14.19.70: mycocyclosin synthase.
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 B M62 M86 H146 F230 G234 S237 T238 F241 F280 L284 R286 A337 F338 H343 C345 P346 G347 M57 M81 H141 F225 G229 S232 T233 F236 F275 L279 R281 A332 F333 H338 C340 P341 G342
BS02 TPF B T77 V78 V82 A167 F168 T229 Q385 T72 V73 V77 A162 F163 T224 Q380 MOAD: Kd=5uM
BindingDB: Kd=6000nM
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008395 steroid hydroxylase activity
GO:0009975 cyclase activity
GO:0016491 oxidoreductase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0016717 oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water
GO:0020037 heme binding
GO:0036199 cholest-4-en-3-one 26-monooxygenase activity
GO:0046872 metal ion binding
GO:0070025 carbon monoxide binding
Biological Process
GO:0006707 cholesterol catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ij7, PDBe:2ij7, PDBj:2ij7
PDBsum2ij7
PubMed17028183
UniProtP9WPP7|CP121_MYCTU Mycocyclosin synthase (Gene Name=cyp121)

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