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4UQH

Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.

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 Residues19
DetailsBINDING SITE FOR RESIDUE HEM A 1450
ChainResidue
APHE90
AGLY414
APHE415
AGLY416
AALA417
AHIS420
ALYS421
ACYS422
AILE423
AGLY424
A25S1485
ATYR116
ALEU127
AALA291
ATHR295
ATHR299
APRO355
AVAL359
AARG361

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 25S A 1485
ChainResidue
APHE48
AMET106
AALA291
AMET358
AMET360
AMET460
AVAL461
AHEM1450

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1478
ChainResidue
AGLY111
AGLU112
AARG230
AARG233
AHIS279

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1479
ChainResidue
AHIS306
AHIS309
ALYS311
AASN312
ATRP400
AVAL452

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1480
ChainResidue
AGLN140
APRO144
AASN331
ATYR332

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1481
ChainResidue
ASER277
ASER277
ALEU278
ALEU278
AHOH2030

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1482
ChainResidue
AARG347
APHE412
AGLN425
AHOH2054

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1483
ChainResidue
AGLU406
AASP409
AALA417
AGLY418
ALYS421

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1484
ChainResidue
AHIS84
AGLU85
AGLU85
AARG88
AGLY370

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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