Chlorine in PDB 3qat: Crystal Structure of Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae

All present enzymatic activity of Crystal Structure of Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae:
2.3.1.39;

The structure of Crystal Structure of Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae, PDB code: 3qat was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.190, 98.010, 138.180, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.2

The binding sites of Chlorine atom in the Crystal Structure of Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae (pdb code 3qat). 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 Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae, PDB code: 3qat:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae


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 Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl316 b:16.2 occ:1.00 O A:HOH546 2.8 32.4 1.0 O A:HOH656 3.2 24.2 1.0 NE2 A:GLN13 3.2 9.3 1.0 O B:HOH362 3.3 13.1 1.0 O B:HOH382 3.3 12.9 1.0 NE2 A:GLN10 3.4 10.3 1.0 CA A:GLY11 3.6 8.2 1.0 N A:GLY11 3.7 7.5 1.0 CG A:GLN10 3.9 9.5 1.0 CG2 A:THR56 3.9 8.3 1.0 CB B:ASP53 4.1 8.7 1.0 CD A:GLN10 4.1 11.2 1.0 CD A:GLN13 4.1 7.3 1.0 OE1 A:GLN13 4.2 8.4 1.0 N B:ASP53 4.4 8.0 1.0 C A:GLN10 4.4 7.8 1.0 CB B:ALA52 4.6 9.2 1.0 CA B:ASP53 4.6 8.1 1.0 O A:HOH417 4.6 7.2 1.0 CG B:ASP53 4.7 10.5 1.0 O A:HOH617 4.8 29.7 1.0 C A:GLY11 4.8 8.4 1.0 OD2 B:ASP53 4.9 11.4 1.0 O A:HOH345 4.9 22.7 1.0 O A:GLN10 4.9 8.7 1.0 OG1 A:THR56 5.0 9.3 1.0 C B:ALA52 5.0 8.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae


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 Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl316 b:16.1 occ:1.00 O A:HOH542 2.9 32.6 1.0 O A:HOH514 3.2 12.3 1.0 O A:HOH378 3.2 14.3 1.0 NE2 B:GLN13 3.2 9.7 1.0 NE2 B:GLN10 3.4 12.5 1.0 CA B:GLY11 3.6 8.7 1.0 N B:GLY11 3.6 7.9 1.0 CG B:GLN10 3.9 10.3 1.0 CG2 B:THR56 3.9 7.2 1.0 CB A:ASP53 4.1 10.1 1.0 CD B:GLN13 4.1 7.5 1.0 CD B:GLN10 4.2 11.8 1.0 OE1 B:GLN13 4.2 8.7 1.0 N A:ASP53 4.4 10.4 1.0 CB A:ALA52 4.4 11.0 1.0 C B:GLN10 4.4 8.4 1.0 CA A:ASP53 4.6 10.0 1.0 O A:HOH406 4.6 9.0 1.0 O B:HOH601 4.7 30.5 1.0 CG A:ASP53 4.7 12.6 1.0 C B:GLY11 4.8 9.0 1.0 O A:HOH653 4.9 28.0 1.0 O B:HOH762 4.9 22.9 1.0 C A:ALA52 4.9 9.8 1.0 OD2 A:ASP53 5.0 16.0 1.0 OG1 B:THR56 5.0 7.4 1.0

T.E.Edwards, M.C.Clifton, B.Sankaran, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structure of Acyl-Carrier-Protein-S-Malonyltransferase From Bartonella Henselae To Be Published.