Chlorine in PDB 4m3s: Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes

The structure of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes, PDB code: 4m3s was solved by K.A.Majorek, M.Chruszcz, X.Xu, M.Cymborowski, H.Zheng, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.83 / 1.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.950, 75.513, 39.481, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 16.9

The binding sites of Chlorine atom in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes (pdb code 4m3s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes, PDB code: 4m3s:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes


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 A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:12.2 occ:0.90 O A:HOH4026 3.1 15.5 1.0 ND2 A:ASN121 3.3 14.6 1.0 N A:PHE118 3.3 8.3 1.0 CA A:CYS117 3.7 8.7 1.0 CB A:TYR28 3.8 14.5 1.0 CB A:ASN121 3.9 11.4 1.0 SG A:CYS117 3.9 13.4 1.0 CD2 A:PHE118 3.9 9.5 1.0 O A:TYR28 3.9 20.1 1.0 C A:CYS117 4.0 8.4 1.0 C8 A:EPE205 4.1 15.0 0.8 CG A:ASN121 4.1 12.9 1.0 C5 A:EPE205 4.1 13.1 0.8 CB A:PHE118 4.2 9.1 1.0 CA A:PHE118 4.3 8.1 1.0 O A:HOH4290 4.3 34.9 1.0 CB A:CYS117 4.3 10.9 1.0 CA A:TYR28 4.4 12.8 1.0 C A:TYR28 4.4 14.2 1.0 CG A:TYR28 4.5 13.2 1.0 O A:SER116 4.5 11.4 1.0 CG A:PHE118 4.5 9.2 1.0 C7 A:EPE205 4.7 15.0 0.8 O A:PHE118 4.7 8.5 1.0 O A:HOH4135 4.7 35.2 1.0 N A:CYS117 4.9 8.6 1.0 CE2 A:PHE118 4.9 10.3 1.0 CD1 A:TYR28 5.0 13.5 1.0 N4 A:EPE205 5.0 10.5 0.8 C A:PHE118 5.0 7.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes


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 A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:27.1 occ:1.00 O A:HOH4043 3.1 20.4 1.0 O A:HOH4235 3.2 31.1 1.0 CA A:GLY91 3.3 13.4 1.0 N A:ARG94 3.4 11.3 0.5 N A:ARG94 3.4 11.1 0.5 N A:GLY91 3.4 13.5 1.0 C A:GLY91 3.6 12.7 1.0 N A:ALA93 3.6 12.0 1.0 N A:VAL92 3.7 12.2 1.0 O A:HOH4038 3.8 19.5 1.0 CB A:ALA93 3.8 13.8 1.0 CB A:ARG94 3.9 14.1 0.5 CB A:ARG94 4.0 13.2 0.5 CA A:ALA93 4.0 12.0 1.0 CD2 A:LEU127 4.1 16.3 1.0 C A:ALA93 4.2 11.2 1.0 O A:GLY91 4.2 13.4 1.0 CA A:ARG94 4.2 12.4 0.5 CA A:ARG94 4.3 11.9 0.5 O A:HOH4283 4.3 43.0 1.0 C A:VAL92 4.4 11.2 1.0 CD1 A:LEU127 4.5 19.6 1.0 C A:LEU90 4.6 18.6 1.0 CA A:VAL92 4.7 11.1 1.0 N A:LEU90 4.7 14.4 1.0 NE A:ARG94 4.8 21.8 0.5 O A:HOH4240 4.8 37.2 1.0 CG A:LEU127 4.9 14.8 1.0 C A:GLY89 4.9 16.7 1.0 N A:GLY89 5.0 14.9 1.0 CA A:GLY89 5.0 16.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:25.3 occ:0.80 O A:HOH4143 3.2 32.5 1.0 N A:GLY51 3.2 10.0 1.0 O A:HOH4022 3.5 17.9 1.0 CD A:ARG50 3.8 17.8 1.0 CA A:ARG50 3.9 12.1 1.0 C A:ARG50 4.1 9.8 1.0 CA A:GLY51 4.1 10.3 1.0 CB A:ARG50 4.1 12.8 1.0 O A:HOH4080 4.5 16.4 0.5 CG A:ARG50 4.6 14.0 1.0 O A:HOH4080 4.7 21.1 0.5 OH A:TYR108 4.9 23.4 1.0 NE A:ARG50 5.0 20.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:24.0 occ:0.80 N A:ALA86 3.3 15.1 1.0 O A:HOH4311 3.3 25.4 1.0 CD A:PRO85 3.6 13.7 1.0 N A:PRO85 3.6 11.9 1.0 CB A:ALA86 3.6 21.0 1.0 CB A:ALA84 3.7 11.7 1.0 C A:ALA84 4.0 10.0 1.0 CA A:ALA86 4.1 17.0 1.0 CB A:PRO85 4.2 21.6 1.0 CG A:PRO85 4.2 21.0 1.0 CA A:ALA84 4.2 10.4 1.0 CA A:PRO85 4.2 15.2 1.0 C A:PRO85 4.3 14.6 1.0 O A:ALA84 4.7 10.1 1.0 O A:HOH4187 4.9 31.1 1.0

K.A.Majorek, M.L.Kuhn, M.Chruszcz, W.F.Anderson, W.Minor. Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 in Complex with Hepes To Be Published.