Calcium in PDB 7k72: Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad

All present enzymatic activity of Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad:
6.5.1.2;

The structure of Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad, PDB code: 7k72 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)	44.59 / 2.05
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.940, 63.810, 120.730, 96.22, 89.55, 111.97
R / Rfree (%)	16.8 / 20.6

The structure of Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad also contains other interesting chemical elements:

Magnesium

(Mg)

9 atoms

The binding sites of Calcium atom in the Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad (pdb code 7k72). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad, PDB code: 7k72:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:32.6 occ:1.00 OH A:TYR32 2.9 22.5 1.0 O A:HOH753 3.0 37.0 1.0 NE2 A:GLN28 3.2 19.7 1.0 O A:HOH518 3.4 25.6 1.0 CE2 A:TYR32 3.4 20.6 1.0 O5D A:NAD401 3.5 32.6 1.0 CZ A:TYR32 3.6 24.1 1.0 C6N A:NAD401 3.6 20.2 1.0 CE2 A:PHE44 3.7 20.1 1.0 CA A:GLY72 3.8 21.1 1.0 CZ A:PHE44 3.9 18.4 1.0 C5N A:NAD401 3.9 18.6 1.0 CG A:GLN28 3.9 19.0 1.0 C5D A:NAD401 4.0 26.6 1.0 CD A:GLN28 4.1 24.9 1.0 N A:GLY72 4.5 21.9 1.0 O4D A:NAD401 4.7 22.6 1.0 O1N A:NAD401 4.7 26.3 1.0 CD2 A:TYR32 4.7 18.8 1.0 O A:HOH755 4.8 33.3 1.0 N1N A:NAD401 4.8 21.4 1.0 CD2 A:PHE44 4.8 21.4 1.0 PN A:NAD401 4.9 25.2 1.0 C A:GLY72 4.9 25.4 1.0 C4D A:NAD401 4.9 25.6 1.0 O A:HOH557 4.9 21.1 1.0 CE1 A:TYR32 5.0 19.0 1.0

Calcium binding site 2 out of 2 in the Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:38.1 occ:1.00 OH B:TYR32 2.9 27.4 1.0 O B:HOH734 2.9 40.2 1.0 O B:HOH539 3.2 26.5 1.0 NE2 B:GLN28 3.4 23.2 1.0 CE2 B:TYR32 3.4 23.9 1.0 O5D B:NAD401 3.5 35.1 1.0 CZ B:TYR32 3.6 26.4 1.0 C6N B:NAD401 3.7 25.9 1.0 CE2 B:PHE44 3.7 23.7 1.0 CZ B:PHE44 3.7 24.6 1.0 CA B:GLY72 3.9 27.6 1.0 C5D B:NAD401 3.9 31.5 1.0 C5N B:NAD401 3.9 27.8 1.0 CG B:GLN28 4.0 22.6 1.0 CD B:GLN28 4.2 32.4 1.0 N B:GLY72 4.5 25.6 1.0 O1N B:NAD401 4.6 29.5 1.0 CD2 B:TYR32 4.7 24.0 1.0 O4D B:NAD401 4.7 26.2 1.0 CD2 B:PHE44 4.8 24.8 1.0 PN B:NAD401 4.8 32.0 1.0 N1N B:NAD401 4.9 32.8 1.0 C4D B:NAD401 4.9 32.1 1.0 O B:HOH535 4.9 32.2 1.0 CE1 B:PHE44 4.9 27.2 1.0 C B:GLY72 4.9 27.1 1.0 CE1 B:TYR32 4.9 25.0 1.0

S.L.Delker, J.Abendroth, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Structure of Dna Ligase A From Mycobacterium Tuberculosis Bound to Nad To Be Published.