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Chlorine in PDB 2wfj: Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.

Enzymatic activity of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.

All present enzymatic activity of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.:
5.2.1.8;

Protein crystallography data

The structure of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A., PDB code: 2wfj was solved by C.M.Stegmann, G.M.Sheldrick, M.C.Wahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 0.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.319, 64.913, 69.285, 90.00, 90.00, 90.00
R / Rfree (%) 11.1 / 12.9

Other elements in 2wfj:

The structure of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A. also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A. (pdb code 2wfj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A., PDB code: 2wfj:

Chlorine binding site 1 out of 1 in 2wfj

Go back to Chlorine Binding Sites List in 2wfj
Chlorine binding site 1 out of 1 in the Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1187

b:14.7
occ:1.00
 O A:HOH2212 3.1 15.8 1.0
O A:HOH2197 3.2 9.7 1.0
N A:SER122 3.2 6.1 1.0
NH1 A:ARG115 3.3 18.8 1.0
O A:GLY86 3.4 13.6 1.0
N A:GLN123 3.6 6.3 1.0
CA A:GLY121 3.6 6.1 1.0
CG A:GLN123 3.7 6.7 1.0
NE2 A:GLN123 3.7 7.4 1.0
CA A:GLY87 3.8 10.9 1.0
C A:GLY121 3.9 5.9 1.0
C A:GLY87 3.9 8.0 1.0
OG A:SER122 3.9 6.9 1.0
CB A:GLN123 3.9 6.1 1.0
N A:GLY121 4.1 6.1 1.0
CD A:GLN123 4.1 6.5 1.0
N A:GLU88 4.2 7.8 1.0
CA A:SER122 4.2 5.9 1.0
CE1 A:PHE94 4.3 10.3 1.0
C A:SER122 4.3 5.7 1.0
C A:GLY86 4.4 9.0 1.0
CA A:GLN123 4.4 5.9 1.0
O A:GLY87 4.4 9.1 1.0
N A:GLY87 4.6 8.6 1.0
CZ A:ARG115 4.6 16.3 1.0
CG B:ABA6 4.6 8.1 1.0
CB A:SER122 4.7 6.3 1.0
CB B:ABA6 4.8 8.3 1.0
CA A:GLU88 4.9 7.2 0.8
NE A:ARG115 4.9 14.9 1.0
CZ A:PHE94 5.0 11.5 1.0
CD1 A:PHE94 5.0 8.8 1.0

Reference:

C.M.Stegmann, D.Seeliger, G.M.Sheldrick, B.L.De Groot, M.C.Wahl. The Thermodynamic Influence of Trapped Water Molecules on A Protein-Ligand Interaction. Angew.Chem.Int.Ed.Engl. V. 48 5207 2009.
ISSN: ISSN 1433-7851
PubMed: 19499554
DOI: 10.1002/ANIE.200900481
Page generated: Sat Jul 20 12:47:14 2024

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