Structure of PDB 4bjk Chain A

Receptor sequence
>4bjkA (length=450) Species: 5691 (Trypanosoma brucei) [Search protein sequence]
GKLPPMYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRVT
IVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQLN
FLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIINT
ACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSAR
CHEARTELQKILSEIIIARKAAAVNKDSSTSDLLSGLLSAVYRDGTPMSL
HEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFPA
QLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKGD
IIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKFG
LLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRKA
3D structure
PDB4bjk Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.
ChainA
Resolution2.67 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T295 F415 C422
Catalytic site (residue number reindexed from 1) T267 F387 C394
Enzyme Commision number 1.14.13.70: Transferred entry: 1.14.14.154.
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 Y103 L127 L134 A288 T295 L356 R361 G414 F415 H420 C422 I423 G424 Y75 L99 L106 A260 T267 L328 R333 G386 F387 H392 C394 I395 G396
BS02 18I A Y103 M106 F110 Y116 E205 F290 A291 M460 Y75 M78 F82 Y88 E177 F262 A263 M432
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion 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:0044091 membrane biogenesis
Cellular Component
GO:0005635 nuclear envelope
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4bjk, PDBe:4bjk, PDBj:4bjk
PDBsum4bjk
PubMed24079662
UniProtQ385E8

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