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5FRB

Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0006696biological_processergosterol biosynthetic process
A0008168molecular_functionmethyltransferase activity
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
A0032259biological_processmethylation
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HEM A 580
ChainResidue
ATYR136
AHIS461
ACYS463
AVT2590
ALEU143
ALYS147
ALEU304
ASER311
AILE376
AARG378
APRO455
APHE456

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE VT2 A 590
ChainResidue
AGLY69
APHE130
ATYR136
AALA303
AALA307
AHIS374
ATYR500
ASER501
ASER502
ALEU503
AHEM580

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGaGRHRCIG
ChainResidueDetails
APHE456-GLY465

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsBINDING: axial binding residue => ECO:0007744|PDB:4UYL, ECO:0007744|PDB:4UYM, ECO:0007744|PDB:5FRB
ChainResidueDetails
ACYS463

221051

PDB entries from 2024-06-12

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