Chlorine in PDB 4eph: Crystal Structure of Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor

All present enzymatic activity of Crystal Structure of Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor:
2.3.1.21;

The structure of Crystal Structure of Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor, PDB code: 4eph was solved by A.C.Rufer, R.Thoma, J.Benz, M.Stihle, B.Gsell, E.De Roo, D.W.Banner, F.Mueller, O.Chomienne, M.Hennig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.31 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.640, 67.640, 309.370, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor (pdb code 4eph). 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 Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor, PDB code: 4eph:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor


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 Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:66.3 occ:1.00 CL2 A:0RK701 0.0 66.3 1.0 C27 A:0RK701 1.8 65.2 1.0 C31 A:0RK701 2.8 64.5 1.0 C14 A:0RK701 2.8 64.1 1.0 CD2 A:LEU381 3.6 14.8 1.0 C26 A:0RK701 4.1 64.6 1.0 C3 A:0RK701 4.1 63.2 1.0 O A:HOH932 4.2 29.8 1.0 O A:ASN593 4.4 27.5 1.0 C21 A:0RK701 4.6 65.2 1.0 CG A:LEU381 4.9 14.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor


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 Rat Carnitine Palmitoyltransferase 2 in Complex with Coa-Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:32.1 occ:1.00 CL1 A:0RK701 0.0 32.1 1.0 C10 A:0RK701 1.8 34.0 1.0 C20 A:0RK701 2.7 34.5 1.0 C5 A:0RK701 2.8 34.2 1.0 O25 A:0RK701 3.0 33.8 1.0 C11 A:0RK701 3.3 34.0 1.0 CB A:ASP376 3.3 18.9 1.0 O A:HOH973 3.3 25.1 1.0 N A:GLY377 3.5 20.0 1.0 CG2 A:THR499 3.6 15.4 1.0 N A:VAL378 3.7 21.6 1.0 CG2 A:VAL378 3.9 23.1 1.0 CB A:SER490 3.9 15.9 1.0 C23 A:0RK701 4.0 34.5 1.0 C22 A:0RK701 4.1 33.3 1.0 CB A:VAL378 4.1 22.6 1.0 CA A:GLY377 4.2 20.9 1.0 C A:ASP376 4.2 19.0 1.0 CA A:SER490 4.2 16.2 1.0 CG A:ASP376 4.3 19.6 1.0 CA A:ASP376 4.3 18.8 1.0 OG A:SER490 4.4 17.0 1.0 N A:SER490 4.4 16.1 1.0 C A:GLY377 4.4 21.5 1.0 O30 A:0RK701 4.5 35.1 1.0 CA A:VAL378 4.5 21.7 1.0 C29 A:0RK701 4.6 33.6 1.0 O A:ARG498 4.7 18.1 1.0 OD2 A:ASP376 4.8 17.6 1.0 OD1 A:ASP376 5.0 20.4 1.0

S.Perspicace, A.C.Rufer, R.Thoma, F.Mueller, M.Hennig, S.Ceccarelli, T.Schulz-Gasch, J.Seelig. Isothermal Titration Calorimetry with Micelles: Thermodynamics of Inhibitor Binding to Carnitine Palmitoyltransferase 2 Membrane Protein. Febs Open Bio V. 3 204 2013.
ISSN: ESSN 2211-5463
PubMed: 23772395
DOI: 10.1016/J.FOB.2013.04.003