Calcium in PDB 6d8i: Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain

The structure of Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain, PDB code: 6d8i was solved by S.Tang, J.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.56 / 1.65
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.646, 51.646, 75.109, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 18

The binding sites of Calcium atom in the Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain (pdb code 6d8i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain, PDB code: 6d8i:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:22.5 occ:1.00 HO1 A:EDO106 1.9 36.0 1.0 HO2 A:EDO106 2.0 44.0 1.0 OD1 A:ASP67 2.3 15.9 1.0 O A:HOH269 2.3 37.7 1.0 O2 A:EDO106 2.4 36.7 1.0 O A:HOH223 2.4 25.5 1.0 O A:HOH203 2.4 36.7 1.0 O A:HOH249 2.4 22.5 1.0 O1 A:EDO106 2.5 30.0 1.0 CG A:ASP67 3.3 15.5 1.0 C2 A:EDO106 3.3 37.6 1.0 C1 A:EDO106 3.4 35.0 1.0 OD2 A:ASP67 3.6 17.5 1.0 H22 A:EDO106 3.7 45.1 1.0 H11 A:EDO106 3.7 42.0 1.0 H21 A:EDO106 4.1 45.1 1.0 H12 A:EDO106 4.2 42.0 1.0 OE2 A:GLU66 4.4 23.9 1.0 O A:HOH280 4.6 38.2 1.0 CB A:ASP67 4.7 12.7 1.0 O A:ALA63 4.8 12.0 1.0 CA A:ASP67 4.9 12.2 1.0

Calcium binding site 2 out of 3 in the Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:26.1 occ:1.00 O A:HOH228 2.3 25.0 1.0 O A:HOH271 2.4 35.0 1.0 OG A:SER45 2.4 13.4 0.6 OD1 A:ASP43 2.5 16.8 1.0 OD2 A:ASP43 2.6 25.3 1.0 CG A:ASP43 2.9 23.6 1.0 CB A:SER45 3.5 12.6 0.6 CB A:SER45 3.5 12.6 0.4 OG A:SER45 3.5 12.8 0.4 O A:HOH219 4.1 21.6 1.0 N A:SER45 4.3 11.8 0.6 N A:SER45 4.3 11.8 0.4 CB A:ASP43 4.4 17.1 1.0 CA A:SER45 4.4 11.8 0.6 CA A:SER45 4.4 11.8 0.4 O A:HOH242 4.5 21.2 1.0 C A:SER45 4.9 11.9 0.6 CG1 A:VAL46 4.9 19.0 1.0 C A:SER45 5.0 12.1 0.4

Calcium binding site 3 out of 3 in the Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:28.0 occ:1.00 HO1 A:EDO105 2.2 52.0 1.0 O A:ALA34 2.3 22.2 1.0 O1 A:EDO105 2.3 43.3 1.0 O A:HOH236 2.3 36.9 1.0 O A:HOH270 2.4 47.9 1.0 O A:HOH233 2.4 34.9 1.0 O2 A:EDO105 2.5 30.1 1.0 O A:HOH263 2.6 44.3 1.0 HO2 A:EDO105 2.6 36.1 1.0 C1 A:EDO105 3.1 37.4 1.0 H11 A:EDO105 3.1 44.9 1.0 C2 A:EDO105 3.3 35.6 1.0 C A:ALA34 3.4 22.7 1.0 H21 A:EDO105 3.9 42.7 1.0 H12 A:EDO105 4.0 44.9 1.0 CA A:ALA34 4.0 17.3 1.0 H22 A:EDO105 4.0 42.7 1.0 N A:VAL35 4.6 19.0 1.0 CB A:ALA34 4.6 16.1 1.0 OD2 A:ASP57 4.6 17.9 1.0 OD1 A:ASP57 4.6 18.5 1.0 O A:HOH220 4.7 38.5 1.0 CA A:VAL35 4.9 20.6 1.0 O A:LYS33 4.9 21.5 1.0

S.Tang, J.Sacchettini. Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain To Be Published.