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4COH

Crystal structure of Trypanosoma cruzi CYP51 bound to the sulfonamide derivative of the 4-aminopyridyl-based inhibitor

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
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0008398molecular_functionsterol 14-demethylase activity
B0016020cellular_componentmembrane
B0016126biological_processsterol biosynthetic process
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0020037molecular_functionheme binding
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEM A 1450
ChainResidue
ATYR116
AGLY414
APHE415
AGLY416
AHIS420
ACYS422
AILE423
AGLY424
AT9H1460
AHOH2076
AHOH2307
AALA288
AHOH2310
AHOH2362
AALA291
AGLY292
ATHR295
ATHR299
ALEU356
AVAL359
AARG361

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE T9H A 1460
ChainResidue
APHE48
ATYR103
AMET106
APHE110
ATYR116
APRO210
AALA211
APHE214
AALA291
ALEU356
AMET460
AVAL461
AHEM1450
AHOH2011
AHOH2225
AHOH2363

site_idAC3
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEM B 1450
ChainResidue
BTYR116
BLEU134
BALA288
BALA291
BTHR295
BVAL359
BARG361
BGLY414
BPHE415
BGLY416
BHIS420
BCYS422
BILE423
BGLY424
BT9H1460
BHOH2088
BHOH2278
BHOH2313

site_idAC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE T9H B 1460
ChainResidue
APRO222
BPHE48
BPHE110
BTYR116
BPRO210
BPHE214
BALA287
BPHE290
BALA291
BMET460
BVAL461
BHEM1450
BHOH2011
BHOH2067
BHOH2252

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 Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P0A512
ChainResidueDetails
ACYS422
BCYS422

224004

PDB entries from 2024-08-21

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