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5AJR

Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0008398molecular_functionsterol 14-demethylase activity
A0016020cellular_componentmembrane
A0016126biological_processsterol biosynthetic process
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0020037molecular_functionheme binding
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEM A 1479
ChainResidue
ATYR103
AGLY416
AVAL419
AHIS420
ALYS421
ACYS422
AILE423
AGLY424
AVT11480
AALA288
AGLY292
ATHR295
ATHR299
AVAL359
AARG361
AGLY414
APHE415

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE VT1 A 1480
ChainResidue
ATYR103
AMET106
ATYR116
AALA287
AALA291
ATHR295
ALEU356
AMET358
AMET360
AMET460
AHEM1479

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGaGVHKCIG
ChainResidueDetails
APHE415-GLY424

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P0A512
ChainResidueDetails
ACYS422

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PDB entries from 2024-07-10

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