Bromine in PDB 7y3s: 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: 7y3s 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)	41.25 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.897, 92.017, 87.326, 90, 108.16, 90
R / Rfree (%)	20.3 / 25

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)	1 atom

The binding sites of Bromine atom in the Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1 (pdb code 7y3s). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Controlling Fibrosis Using Compound with Novel Binding Mode to Prolyl- Trna Synthetase 1, PDB code: 7y3s:
Jump to Bromine binding site number: 1; 2;

Bromine 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 Bromine with other atoms in the Br 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:Br2601 b:55.5 occ:1.00 BR A:F9C2601 0.0 55.5 1.0 C2 A:F9C2601 1.9 53.4 1.0 C3 A:F9C2601 2.8 54.4 1.0 C1 A:F9C2601 2.9 33.8 1.0 C A:F9C2601 3.2 26.3 1.0 CG A:PRO1120 3.4 28.8 1.0 CG2 A:VAL1101 3.6 29.0 1.0 CB A:PHE1097 3.9 38.4 1.0 CD2 A:HIS1093 4.0 34.0 1.0 CG A:HIS1093 4.1 46.0 1.0 NE2 A:HIS1093 4.1 38.1 1.0 N A:F9C2601 4.1 40.3 1.0 CB A:PRO1120 4.1 26.9 1.0 ND1 A:HIS1093 4.1 41.2 1.0 C5 A:F9C2601 4.2 39.6 1.0 CE1 A:HIS1093 4.2 41.2 1.0 O A:PHE1097 4.5 40.9 1.0 C4 A:F9C2601 4.6 37.7 1.0 CG A:PHE1097 4.6 42.5 1.0 CB A:HIS1093 4.7 51.8 1.0 CD A:PRO1120 4.8 22.6 1.0 C A:PHE1097 4.8 34.3 1.0 CD2 A:PHE1097 4.8 42.4 1.0 CG2 A:THR1121 5.0 28.3 1.0 O A:HOH2737 5.0 28.9 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br2601 b:62.6 occ:1.00 BR B:F9C2601 0.0 62.6 1.0 C2 B:F9C2601 1.9 42.9 1.0 C3 B:F9C2601 2.8 37.9 1.0 C1 B:F9C2601 2.9 37.2 1.0 C B:F9C2601 3.2 37.0 1.0 CG B:PRO1120 3.6 21.8 1.0 ND1 B:HIS1093 3.8 75.9 1.0 CG B:HIS1093 3.8 79.2 1.0 CB B:PHE1097 3.9 48.6 1.0 CG2 B:VAL1101 4.0 27.9 1.0 CE1 B:HIS1093 4.0 86.7 1.0 CD2 B:HIS1093 4.1 80.2 1.0 N B:F9C2601 4.1 38.4 1.0 NE2 B:HIS1093 4.1 89.0 1.0 C5 B:F9C2601 4.2 32.2 1.0 CB B:PRO1120 4.4 30.5 1.0 CB B:HIS1093 4.4 79.8 1.0 CG B:PHE1097 4.5 47.1 1.0 C4 B:F9C2601 4.6 36.6 1.0 CD2 B:PHE1097 4.6 45.8 1.0 O B:PHE1097 4.6 58.1 1.0 CD B:PRO1120 4.8 19.4 1.0 C B:PHE1097 4.9 53.0 1.0

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