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4UVR

Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51

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 Residues17
DetailsBINDING SITE FOR RESIDUE HEM A 1450
ChainResidue
ATYR116
APHE415
AGLY416
AHIS420
ALYS421
ACYS422
AILE423
AJ5Y1477
AHOH2028
ALEU127
AALA288
AALA291
ATHR295
ATHR299
AVAL359
AARG361
AGLY414

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE J5Y A 1477
ChainResidue
APHE48
AVAL77
ATYR103
AMET106
APHE290
AALA291
ALEU356
AMET358
AMET360
AALA381
AMET460
AVAL461
AHEM1450
AHOH2032

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1478
ChainResidue
APHE139
AGLN140
AASN141
APRO144
AASN331
ATYR332

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1479
ChainResidue
ASER277
ASER277
ALEU278
ALEU278
AHOH2033

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1480
ChainResidue
AGLY111
AGLU112
AARG230
AARG233
AHIS279

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1481
ChainResidue
AARG347
APHE412
ALYS421
AGLN425

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

238895

PDB entries from 2025-07-16

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