Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

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

PubMed: 17846131
DOI: 10.1128/AAC.00311-07

Chain : A
UniProt : P0A512 (multiple entry names are found)
Reaction : -