Het-PDB Navi2 (PDB: 2CIB)

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Ligands
Code	Name		Style	Show	Link
CM6	(2s)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylacetamide				PoSSuM
HEM	Protoporphyrin ix containing Fe				PoSSuM

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Download interaction data: 2CIB

Code :

2CIB PDBj RCSB PDB PDBe

Header :

OXIDOREDUCTASE

Title :

High throughput screening and X-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors

Release Data :

2007-07-03

Compound :

mol_id	molecule	chains	synonym
1	CYTOCHROME P450 51	A	STEROL 14ALPHA-DEMETHYLASE CYP51, YPLI, P450-LIA1, STEROL 14-ALPHA DEMETHYLASE, LANOSTEROL 14-ALPHA DEMETHYLASE, P450-14DM
	ec: 1.14.13.70 mutation: YES other_details: 4XHIS TAG AT THE C-TERMINUS

Source :

mol_id	organism_scientific	expression_system
1	MYCOBACTERIUM TUBERCULOSIS (taxid:83332)	ESCHERICHIA COLI (taxid:562)
	strain: H37RV expression_system_strain: HMS174(DE3) expression_system_vector: PET expression_system_plasmid: PET17B

Authors :

Podust, L.M., Kim, Y., Yermalitskaya, L.V., Von Kries, J.P., Waterman, M.R.

Keywords :

HEME, HEME LIPID SYNTHESIS, METAL-BINDING, MONOOXYGENASE, NADP, OXIDOREDUCTASE, PROTEIN-INHIBITOR COMPLEX, STEROID BIOSYNTHESIS, STEROL BIOSYNTHESIS

Exp. method :

X-RAY DIFFRACTION ( 1.50 Å )

Citation :

Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography

Podust, L.M.,Von Kries, J.P.,Eddine, A.N. et al.
(2007) Antimicrob.Agents Chemother. 51 : 3915

PDB ID: 2CIB