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3K1O

Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0006629biological_processlipid metabolic process
A0006694biological_processsteroid biosynthetic process
A0008202biological_processsteroid metabolic process
A0008398molecular_functionsterol 14-demethylase activity
A0016020cellular_componentmembrane
A0016126biological_processsterol biosynthetic process
A0016491molecular_functionoxidoreductase activity
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 Residues16
DetailsBINDING SITE FOR RESIDUE HEM A 488
ChainResidue
ATYR103
APHE415
AGLY416
AHIS420
ACYS422
AILE423
AGLY424
APOZ490
ATYR116
AARG124
AALA288
AGLY292
ATHR295
AVAL359
AARG361
AGLY414

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE POZ A 490
ChainResidue
AILE45
ATYR103
APHE110
ATYR116
ALEU127
APRO210
AALA211
AVAL213
APHE214
AALA291
ALEU357
AMET358
AHIS458
AHEM488

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 site: {"description":"axial binding residue","evidences":[{"source":"UniProtKB","id":"P0A512","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1akd
ChainResidueDetails
AHIS294
ATHR295

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PDB entries from 2025-07-23

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