Zinc in PDB 2esl: Human Cyclophilin C in Complex with Cyclosporin A

All present enzymatic activity of Human Cyclophilin C in Complex with Cyclosporin A:
5.2.1.8;

The structure of Human Cyclophilin C in Complex with Cyclosporin A, PDB code: 2esl was solved by J.R.Walker, T.Davis, E.M.Newman, P.J.Finerty Jr., F.Mackenzie, J.Weigelt, M.Sundstrom, C.Arrowsmith, A.Edwards, A.Bochkarev, S.Dhe-Paganon, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.40 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.203, 123.802, 135.250, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.5

The structure of Human Cyclophilin C in Complex with Cyclosporin A also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Zinc atom in the Human Cyclophilin C in Complex with Cyclosporin A (pdb code 2esl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Cyclophilin C in Complex with Cyclosporin A, PDB code: 2esl:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Cyclophilin C in Complex with Cyclosporin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Cyclophilin C in Complex with Cyclosporin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn4 b:17.5 occ:1.00 NE2 C:HIS174 2.0 16.0 1.0 NE2 A:HIS174 2.0 14.0 1.0 NE2 B:HIS174 2.0 17.1 1.0 O A:HOH2001 2.1 15.1 1.0 CD2 A:HIS174 2.9 11.5 1.0 CD2 C:HIS174 2.9 17.6 1.0 CE1 B:HIS174 2.9 17.7 1.0 CE1 C:HIS174 3.0 17.8 1.0 CE1 A:HIS174 3.0 15.2 1.0 CD2 B:HIS174 3.0 15.4 1.0 ND1 C:HIS174 4.1 19.2 1.0 ND1 B:HIS174 4.1 17.3 1.0 CG C:HIS174 4.1 15.8 1.0 CG A:HIS174 4.1 14.4 1.0 ND1 A:HIS174 4.1 18.2 1.0 CG B:HIS174 4.1 17.7 1.0 CD1 B:LEU178 4.4 26.9 1.0 CD1 C:LEU178 4.5 25.4 1.0 CD1 A:LEU178 4.5 24.8 1.0 CD2 B:LEU178 4.7 21.3 1.0 CD2 A:LEU178 4.8 26.9 1.0 CD2 C:LEU178 4.8 21.7 1.0 O A:HOH2061 4.8 24.6 1.0 O B:HOH2067 4.9 31.8 1.0 O A:HOH2060 4.9 22.8 1.0

Zinc binding site 2 out of 2 in the Human Cyclophilin C in Complex with Cyclosporin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Cyclophilin C in Complex with Cyclosporin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn5 b:19.7 occ:1.00 NE2 F:HIS174 2.0 16.7 1.0 NE2 E:HIS174 2.0 18.1 1.0 NE2 D:HIS174 2.0 15.0 1.0 O D:HOH2001 2.2 18.2 1.0 CD2 D:HIS174 2.9 16.1 1.0 CD2 F:HIS174 2.9 18.3 1.0 CD2 E:HIS174 3.0 19.6 1.0 CE1 F:HIS174 3.0 22.8 1.0 CE1 E:HIS174 3.0 22.4 1.0 CE1 D:HIS174 3.1 19.3 1.0 CG F:HIS174 4.1 20.0 1.0 ND1 F:HIS174 4.1 20.5 1.0 CG D:HIS174 4.1 17.3 1.0 ND1 E:HIS174 4.1 19.6 1.0 CG E:HIS174 4.1 21.3 1.0 ND1 D:HIS174 4.1 18.1 1.0 CD1 D:LEU178 4.4 28.1 1.0 CD1 F:LEU178 4.5 29.6 1.0 CD1 E:LEU178 4.5 30.5 1.0 O D:HOH2061 4.9 34.1 1.0 O E:HOH2026 4.9 32.2 1.0 CD2 F:LEU178 4.9 26.9 1.0 CD2 D:LEU178 4.9 26.5 1.0 CD2 E:LEU178 4.9 27.6 1.0

T.L.Davis, J.R.Walker, V.Campagna-Slater, P.J.Finerty, R.Paramanathan, G.Bernstein, F.Mackenzie, W.Tempel, H.Ouyang, W.H.Lee, E.Z.Eisenmesser, S.Dhe-Paganon. Structural and Biochemical Characterization of the Human Cyclophilin Family of Peptidyl-Prolyl Isomerases. Plos Biol. V. 8 00439 2010.
ISSN: ESSN 1545-7885
PubMed: 20676357
DOI: 10.1371/JOURNAL.PBIO.1000439