Structure of PDB 4uhl Chain E

Receptor sequence
>4uhlE (length=445) Species: 9606 (Homo sapiens) [Search protein sequence]
GKLPPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTY
LLGSDAAALLFNSKNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKK
MLKSGLNIAHFKQHVSIIEKETKEYFESWGESGEKNVFEALSELIILTAS
HCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAH
REIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGRPLTDDEVAGMLIG
LLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTYDQL
KDLNLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTV
NQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYV
QIKTIWSTMLRLYEFDLIDGYFPTVNYTTMIHTPENPVIRYKRRS
3D structure
PDB4uhl Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
ChainE
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T315 F442 C449
Catalytic site (residue number reindexed from 1) T258 F385 C392
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 E Y145 F152 K156 L308 A311 T315 P376 I377 M380 R382 P441 F442 H447 C449 I450 G451 Y88 F95 K99 L251 A254 T258 P319 I320 M323 R325 P384 F385 H390 C392 I393 G394
BS02 VFV E Y131 L134 F139 A144 F152 L159 F234 W239 M304 G307 A311 I377 M487 Y74 L77 F82 A87 F95 L102 F177 W182 M247 G250 A254 I320 M430 MOAD: Kd=103nM
BindingDB: Kd=90nM,IC50=24400nM
BS03 VFV E F77 M100 F105 Y107 H236 W239 I379 M381 F20 M43 F48 Y50 H179 W182 I322 M324 MOAD: Kd=103nM
BindingDB: Kd=90nM,IC50=24400nM
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:4uhl, PDBe:4uhl, PDBj:4uhl
PDBsum4uhl
PubMed27313059
UniProtQ16850|CP51A_HUMAN Lanosterol 14-alpha demethylase (Gene Name=CYP51A1)

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