Calcium in PDB 6d8j: 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: 6d8j 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)	30.28 / 1.63
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.972, 51.972, 74.498, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 18.3

The binding sites of Calcium atom in the Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain (pdb code 6d8j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain, PDB code: 6d8j:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 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:33.0 occ:0.78 O A:ALA34 2.3 31.2 1.0 O A:HOH280 2.3 59.7 1.0 O A:HOH212 2.4 46.3 1.0 O A:HOH216 2.4 35.8 1.0 O A:HOH296 2.5 50.9 1.0 C A:ALA34 3.5 27.2 1.0 O A:HOH287 3.9 56.1 1.0 O A:HOH304 4.2 57.8 1.0 OD2 A:ASP57 4.3 23.4 1.0 CA A:ALA34 4.3 20.4 1.0 N A:VAL35 4.4 24.2 1.0 CA A:VAL35 4.4 27.1 1.0 O A:HOH215 4.6 46.5 1.0 O A:HOH228 4.7 36.4 1.0 CB A:ALA34 4.7 19.4 1.0 OD1 A:ASP57 4.8 24.1 1.0 CG A:ASP57 5.0 22.1 1.0

Calcium binding site 2 out of 5 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:20.8 occ:0.72 O A:HOH242 2.3 29.8 1.0 O A:HOH283 2.3 23.2 1.0 O A:HOH217 2.4 27.0 1.0 O A:HOH323 2.4 47.5 1.0 O A:HOH325 2.4 33.1 1.0 OG A:SER45 2.4 21.4 1.0 O A:HOH295 2.7 27.1 1.0 CB A:SER45 3.5 17.3 1.0 O A:HOH232 4.4 26.9 1.0 O A:HOH262 4.4 29.0 1.0 OE2 A:GLU85 4.6 19.4 1.0 OD1 A:ASP43 4.6 24.3 1.0 CA A:SER45 4.7 16.9 1.0 OE1 A:GLU85 4.7 20.1 1.0 N A:SER45 4.7 17.1 1.0

Calcium binding site 3 out of 5 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:40.5 occ:0.95 O A:HOH289 2.6 44.9 1.0 O A:HOH331 2.7 44.5 1.0 O A:HOH292 3.9 42.4 1.0 O A:HOH208 4.2 35.6 1.0 O A:HOH278 4.4 40.5 1.0 NH1 A:ARG90 4.5 34.3 1.0 NH2 A:ARG90 5.0 43.8 1.0

Calcium binding site 4 out of 5 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 4 of Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca104 b:0.0 occ:0.46 O A:HOH218 2.4 41.6 1.0 O A:GLY36 2.6 36.1 1.0 C A:GLY36 3.5 35.5 1.0 CA A:GLY36 4.0 32.0 1.0 N A:LYS37 4.6 29.7 1.0

Calcium binding site 5 out of 5 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 5 of Mycobacterium Tuberculosis Polyketide Synthase 13 N-Terminal Acyl Carrier Protein Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca105 b:92.2 occ:1.00 OD1 A:ASP67 2.5 23.7 1.0 O A:HOH207 2.5 43.2 1.0 O A:HOH244 3.2 35.1 1.0 OE1 A:GLU66 3.4 36.5 0.4 CG A:ASP67 3.6 23.8 1.0 OD2 A:ASP67 4.0 24.2 1.0 CD A:GLU66 4.3 29.9 0.4 OE2 A:GLU66 4.6 37.7 0.4 OE2 A:GLU66 4.8 28.9 0.6 O A:HOH266 4.8 33.2 1.0 O A:HOH273 4.9 28.7 1.0 CB A:ASP67 4.9 15.9 1.0

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