Structure of PDB 4uyl Chain B

Receptor sequence
>4uylB (length=470) Species: 746128 (Aspergillus fumigatus) [Search protein sequence]
KTPPVVFHWFPFIGSTISYGIDPYKFFFDCRAKYGDIFTFILLGKKTTVY
LGTKGNDFILNGKLRDVCAEEVYSPLTTPVFGRHVVYDCPNAKLMEQKKF
VKYGLTSDALRSYVPLITDEVESFVKNSPAFQGHKGVFDVCKTIAEITIY
TASRSLQGKEVRSKFDSTFAELYHNLDMGFAPINFMLPWAPLPHNRKRDA
AQRKLTETYMEIIKARRQAGSKKDSEDMVWNLMSCVYKNGTPVPDEEIAH
MMIALLMAGQHSSSSTASWIVLRLATRPDIMEELYQEQIRVLGSDLPPLT
YDNLQKLDLHAKVIKETLRLHAPIHSIIRAVKNPMAVDGTSYVIPTSHNV
LSSPGVTARSEEHFPNPLEWNPHRWDENIAASAEDDEKVDYGYGLVSKGT
NSPYLPFGAGRHRCIGEQFAYLQLGTITAVLVRLFRFRNLPGVDGIPDTD
YSSLFSKPLGRSFVEFEKRH
3D structure
PDB4uyl Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
ChainB
Resolution2.81 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S311 F456 C463
Catalytic site (residue number reindexed from 1) S262 F407 C414
Enzyme Commision number 1.14.14.154: sterol 14alpha-demethylase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 HEM B Y136 K147 S311 R378 P455 F456 H461 C463 G465 Y87 K98 S262 R329 P406 F407 H412 C414 G416
BS02 VNI B Y122 F234 A303 M306 A307 I377 Y73 F185 A254 M257 A258 I328
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008168 methyltransferase activity
GO:0008398 sterol 14-demethylase activity
GO:0016491 oxidoreductase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006696 ergosterol biosynthetic process
GO:0009058 biosynthetic process
GO:0016126 sterol biosynthetic process
GO:0032259 methylation
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4uyl, PDBe:4uyl, PDBj:4uyl
PDBsum4uyl
PubMed26269599
UniProtE9QY26|CP51B_ASPFU Sterol 14-alpha demethylase cyp51B (Gene Name=cyp51B)

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