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Chlorine in PDB 5eqb: Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole

Enzymatic activity of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole

All present enzymatic activity of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole:
1.14.13.70;

Protein crystallography data

The structure of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole, PDB code: 5eqb was solved by B.C.Monk, T.M.Tomasiak, M.V.Keniya, F.U.Huschmann, J.D.A.Tyndall, J.D.O'connell Iii, R.D.Cannon, J.Finer-Morre, R.M.Stroud, Center Forstructures Of Membrane Proteins (Csmp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.19
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.630, 67.845, 80.705, 90.00, 99.75, 90.00
R / Rfree (%) 19.2 / 22.8

Other elements in 5eqb:

The structure of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole (pdb code 5eqb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole, PDB code: 5eqb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5eqb

Go back to Chlorine Binding Sites List in 5eqb
Chlorine binding site 1 out of 2 in the Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:36.6
occ:0.44
CL8 A:1YN602 0.0 36.6 0.4
C45 A:1YN602 1.7 46.3 1.0
C46 A:1YN602 2.7 49.4 1.0
C44 A:1YN602 2.7 47.4 1.0
O A:GLY310 3.1 35.7 1.0
C A:GLY310 3.2 35.2 1.0
CD1 A:ILE139 3.3 38.3 1.0
CMD A:HEM601 3.7 32.9 1.0
N A:VAL311 3.7 32.4 1.0
CA A:GLY310 3.7 35.5 1.0
C47 A:1YN602 4.0 47.1 1.0
C43 A:1YN602 4.0 49.8 1.0
CA A:VAL311 4.0 37.3 1.0
CG1 A:ILE139 4.1 39.5 1.0
CG2 A:VAL311 4.5 31.4 1.0
CG2 A:ILE139 4.5 36.1 1.0
C42 A:1YN602 4.5 48.0 1.0
C2D A:HEM601 4.5 36.8 1.0
CE2 A:PHE134 4.6 39.7 1.0
CB A:VAL311 5.0 32.0 1.0
CB A:ILE139 5.0 36.6 1.0
CZ A:PHE134 5.0 38.6 1.0
CHD A:HEM601 5.0 30.6 1.0

Chlorine binding site 2 out of 2 in 5eqb

Go back to Chlorine Binding Sites List in 5eqb
Chlorine binding site 2 out of 2 in the Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:47.0
occ:0.59
CL9 A:1YN602 0.0 47.0 0.6
C43 A:1YN602 1.7 49.8 1.0
C44 A:1YN602 2.7 47.4 1.0
C42 A:1YN602 2.7 48.0 1.0
O33 A:1YN602 3.1 54.1 1.0
C34 A:1YN602 3.1 54.2 1.0
C36 A:1YN602 3.2 49.3 1.0
CZ A:PHE236 3.2 51.1 1.0
N41 A:1YN602 3.5 49.8 1.0
N37 A:1YN602 3.6 51.0 1.0
CA A:GLY314 3.7 40.1 1.0
CE1 A:PHE236 3.8 55.2 1.0
CZ A:PHE134 3.8 38.6 1.0
N A:GLY314 3.9 38.5 1.0
C45 A:1YN602 4.0 46.3 1.0
C47 A:1YN602 4.0 47.1 1.0
CE2 A:PHE236 4.1 54.8 1.0
C A:MET313 4.1 39.4 1.0
CG A:MET313 4.2 50.7 1.0
O A:MET313 4.2 36.7 1.0
C32 A:1YN602 4.4 51.0 1.0
C46 A:1YN602 4.5 49.4 1.0
CB A:MET313 4.5 39.0 1.0
O35 A:1YN602 4.6 55.4 1.0
CE1 A:PHE134 4.6 41.4 1.0
C40 A:1YN602 4.6 41.2 1.0
CE2 A:PHE134 4.6 39.7 1.0
O A:GLY310 4.6 35.7 1.0
C38 A:1YN602 4.7 43.3 1.0
CD1 A:PHE236 4.9 53.6 1.0
C A:GLY314 4.9 38.5 1.0

Reference:

B.C.Monk, T.M.Tomasiak, M.V.Keniya, F.U.Huschmann, J.D.Tyndall, J.D.O'connell, R.D.Cannon, J.G.Mcdonald, A.Rodriguez, J.S.Finer-Moore, R.M.Stroud. Architecture of A Single Membrane Spanning Cytochrome P450 Suggests Constraints That Orient the Catalytic Domain Relative to A Bilayer. Proc.Natl.Acad.Sci.Usa V. 111 3865 2014.
ISSN: ESSN 1091-6490
PubMed: 24613931
DOI: 10.1073/PNAS.1324245111
Page generated: Fri Jul 26 07:27:14 2024

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