Chlorine in PDB 7y1h: Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1

All present enzymatic activity of Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1:
6.1.1.15; 6.1.1.17;

The structure of Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1, PDB code: 7y1h was solved by S.Kim, I.Yoon, J.Son, S.Park, K.Y.Hwang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.90 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.698, 92.364, 87.504, 90, 108.2, 90
R / Rfree (%)	20.7 / 24.3

The structure of Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1 also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1 (pdb code 7y1h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1, PDB code: 7y1h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2601 b:49.3 occ:1.00 CL A:F992601 0.0 49.3 1.0 C2 A:F992601 1.7 37.8 1.0 C3 A:F992601 2.7 41.6 1.0 C1 A:F992601 2.7 33.9 1.0 C A:F992601 3.0 33.0 1.0 CG A:PRO1120 3.4 32.2 1.0 CG2 A:VAL1101 3.5 29.1 1.0 CB A:PHE1097 3.8 40.4 1.0 C4 A:F992601 4.0 40.0 1.0 CG A:HIS1093 4.0 58.6 1.0 C6 A:F992601 4.0 40.4 1.0 CB A:PRO1120 4.0 30.6 1.0 CD2 A:HIS1093 4.0 47.4 1.0 ND1 A:HIS1093 4.0 52.3 1.0 NE2 A:HIS1093 4.1 50.8 1.0 CE1 A:HIS1093 4.1 53.5 1.0 O A:PHE1097 4.2 34.4 1.0 C5 A:F992601 4.5 38.8 1.0 C A:PHE1097 4.5 44.5 1.0 CG A:PHE1097 4.6 52.8 1.0 CB A:HIS1093 4.6 58.7 1.0 CD2 A:PHE1097 4.8 47.9 1.0 CA A:PHE1097 4.8 42.0 1.0 CD A:PRO1120 4.8 29.8 1.0 CB A:VAL1101 5.0 31.6 1.0 O A:HOH2809 5.0 39.5 1.0

Chlorine binding site 2 out of 2 in the Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2601 b:56.3 occ:1.00 CL B:F992601 0.0 56.3 1.0 C2 B:F992601 1.7 41.7 1.0 C3 B:F992601 2.7 49.6 1.0 C1 B:F992601 2.7 40.9 1.0 C B:F992601 3.1 39.8 1.0 CG B:PRO1120 3.5 35.8 1.0 CG2 B:VAL1101 3.8 37.9 1.0 CB B:PHE1097 3.8 65.0 1.0 CB B:HIS1093 3.8 87.1 1.0 C4 B:F992601 4.0 44.1 1.0 C6 B:F992601 4.0 37.4 1.0 ND1 B:HIS1093 4.2 92.9 1.0 CB B:PRO1120 4.2 31.0 1.0 CG B:HIS1093 4.3 94.2 1.0 O B:PHE1097 4.3 61.9 1.0 C5 B:F992601 4.5 41.5 1.0 CG B:PHE1097 4.5 60.5 1.0 C B:PHE1097 4.5 68.3 1.0 CD2 B:PHE1097 4.6 60.0 1.0 CD B:PRO1120 4.8 28.9 1.0 CA B:PHE1097 4.8 71.5 1.0

S.Kim, K.Hwang, I.Yoon. Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl-Trna Synthetase 1 To Be Published.