Structure of PDB 2vku Chain A

Receptor sequence

>2vkuA (length=444) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]

LPRVSGGHDEHGHLEEFRTDPIGLMQRVRDELGDVGTFQLAGKQVVLLSG
SHANEFFFRAGDDDLDQAKAYPFMTPIFGEGVVFDASPERRKEMLHNAAL
RGEQMKGHAATIEDQVRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGK
KFRDQLDGRFAKLYHELERGTDPLAYVDPYLPIESFRRRDEARNGLVALV
ADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPRFSADEITGMFISMMF
AGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHALRQIP
QLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRI
PEDFPDPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIK
AIFSVLLREYEFEMAQPPESYRNDHSKMVVQLAQPAAVRYRRRT

3D structure

PDB

2vku X-Ray Structure of 4,4'-Dihydroxybenzophenone Mimicking Sterol Substrate in the Active Site of Sterol 14Alpha-Demethylase (Cyp51)

Chain

Resolution

1.95 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	T260 S261 F387 C394
Catalytic site (residue number reindexed from 1)	T255 S256 F382 C389
Enzyme Commision number	1.14.15.36: sterol 14alpha-demethylase (ferredoxin).

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	DBE	A	H16 L179 P187 T449	H11 L174 P182 T444	MOAD: Kd=29.5uM
BS02	DBE	A	M99 L229 M253	M94 L224 M248	MOAD: Kd=29.5uM
BS03	DBE	A	E308 K312 F387 R393 I401	E303 K307 F382 R388 I396	MOAD: Kd=29.5uM
BS04	DBE	A	Y76 M79 F83 R96 F255 H259 I323 M433	Y71 M74 F78 R91 F250 H254 I318 M428	MOAD: Kd=29.5uM
BS05	HEM	A	Y76 R96 A256 G257 T260 P320 L321 L324 R326 P386 F387 C394 V395 A400	Y71 R91 A251 G252 T255 P315 L316 L319 R321 P381 F382 C389 V390 A395

Gene Ontology

	Molecular Function
GO:0004497	monooxygenase activity
GO:0005506	iron ion binding
GO:0005515	protein binding
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:0016125	sterol metabolic process
GO:0016126	sterol biosynthetic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Molecular Function

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Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:2vku, PDBe:2vku, PDBj:2vku
PDBsum	2vku
PubMed	18367444
UniProt	P9WPP9\|CP51_MYCTU Sterol 14alpha-demethylase (Gene Name=cyp51)

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