Chlorine in PDB 7vka: Crystal Structure of GH3.6 in Complex with An Inhibitor

The structure of Crystal Structure of GH3.6 in Complex with An Inhibitor, PDB code: 7vka was solved by N.Wang, M.Luo, H.Bao, H.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.66 / 2.40
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	205.871, 205.871, 65.665, 90, 90, 120
R / Rfree (%)	17.2 / 24.4

The structure of Crystal Structure of GH3.6 in Complex with An Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of GH3.6 in Complex with An Inhibitor (pdb code 7vka). 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 GH3.6 in Complex with An Inhibitor, PDB code: 7vka:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of GH3.6 in Complex with An 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 GH3.6 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:79.4 occ:1.00 CL7 A:7IS702 0.0 79.4 1.0 C24 A:7IS702 1.8 75.9 1.0 N9 A:7IS702 2.7 77.4 1.0 C27 A:7IS702 2.8 71.4 1.0 O A:HOH979 3.4 48.8 1.0 OH A:TYR178 3.4 45.8 1.0 O A:HIS183 3.8 48.1 1.0 O A:HOH1004 3.8 36.7 1.0 CE2 A:TYR178 4.0 28.0 1.0 N8 A:7IS702 4.0 78.5 1.0 CD A:ARG187 4.0 46.9 1.0 C26 A:7IS702 4.0 70.5 1.0 CZ A:TYR178 4.2 41.2 1.0 CD2 A:PHE184 4.3 30.9 1.0 C21 A:7IS702 4.5 77.5 1.0 C A:HIS183 4.7 40.6 1.0 NE A:ARG187 4.8 47.3 1.0 CA A:PHE184 4.9 40.5 1.0 CB A:ARG187 4.9 36.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of GH3.6 in Complex with An 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 GH3.6 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:80.6 occ:1.00 CL7 B:7IS702 0.0 80.6 1.0 C24 B:7IS702 1.8 75.0 1.0 N9 B:7IS702 2.7 73.9 1.0 C27 B:7IS702 2.8 65.8 1.0 OH B:TYR178 3.4 37.5 1.0 O B:HIS183 3.7 44.3 1.0 O B:HOH986 3.7 40.4 1.0 CE2 B:TYR178 4.0 41.5 1.0 N8 B:7IS702 4.0 65.5 1.0 C26 B:7IS702 4.0 60.3 1.0 CZ B:TYR178 4.2 44.2 1.0 CD B:ARG187 4.2 36.3 1.0 CG2 B:THR193 4.3 50.4 1.0 CD1 B:PHE184 4.3 30.5 1.0 O B:HOH977 4.4 34.9 1.0 C21 B:7IS702 4.5 59.3 1.0 C B:HIS183 4.8 42.5 1.0 CB B:ARG187 4.9 35.4 1.0 NE B:ARG187 5.0 36.5 1.0

N.Wang, M.Luo, H.Bao, H.Huang, K.Jiang. Crystal Structure of GH3.6 in Complex with An Inhibitor To Be Published.