Structure of PDB 4uhl Chain B

Receptor sequence

>4uhlB (length=445) Species: 9606 (Homo sapiens) [Search protein sequence]

GKLPPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTY
LLGSDAAALLFNSKNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKK
MLKSGLNIAHFKQHVSIIEKETKEYFESWGESGEKNVFEALSELIILTAS
HCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAH
REIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGRPLTDDEVAGMLIG
LLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTYDQL
KDLNLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTV
NQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYV
QIKTIWSTMLRLYEFDLIDGYFPTVNYTTMIHTPENPVIRYKRRS

3D structure

PDB

4uhl Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.

Chain

Resolution

2.5 Å

3D
structure

Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]

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	B	Y145 F152 K156 L308 A311 T315 P376 I377 M380 R382 P441 F442 H447 C449 G451 A455	Y88 F95 K99 L251 A254 T258 P319 I320 M323 R325 P384 F385 H390 C392 G394 A398
BS02	VFV	B	Y131 L134 F139 A144 F152 F234 W239 M304 G307 A311 T315 I377 M487	Y74 L77 F82 A87 F95 F177 W182 M247 G250 A254 T258 I320 M430	MOAD: Kd=103nM BindingDB: Kd=90nM,IC50=24400nM
BS03	VFV	B	F77 M100 V101 F105 Y107 H236 W239 I379 M381 M487	F20 M43 V44 F48 Y50 H179 W182 I322 M324 M430	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
PDBsum	4uhl
PubMed	27313059
UniProt	Q16850\|CP51A_HUMAN Lanosterol 14-alpha demethylase (Gene Name=CYP51A1)

[Back to BioLiP]