Calcium in PDB 6nlt: Apo Structure of the T130K Mutant of Ant-4

The structure of Apo Structure of the T130K Mutant of Ant-4, PDB code: 6nlt was solved by B.Selvaraj, M.J.Cuneo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.39 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.251, 97.650, 101.080, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 21.5

The binding sites of Calcium atom in the Apo Structure of the T130K Mutant of Ant-4 (pdb code 6nlt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Apo Structure of the T130K Mutant of Ant-4, PDB code: 6nlt:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Apo Structure of the T130K Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Apo Structure of the T130K Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:26.7 occ:1.00 OE2 A:GLU145 2.5 19.6 1.0 O A:HOH432 2.5 27.2 1.0 O B:HOH559 2.5 26.9 1.0 O B:HOH406 2.5 25.7 1.0 OE1 A:GLU145 2.6 30.3 1.0 O B:HOH564 2.6 40.7 1.0 O A:HOH590 2.7 37.6 1.0 CD A:GLU145 2.9 17.2 1.0 O B:HOH415 2.9 33.1 1.0 OE1 B:GLU76 3.9 21.7 1.0 NZ B:LYS74 4.1 30.4 1.0 CG A:GLU145 4.4 20.9 1.0 OE1 B:GLU67 4.4 19.0 1.0 O A:HOH654 4.5 30.9 1.0 OE2 B:GLU52 4.5 28.2 1.0 O A:GLU141 4.6 13.8 1.0 OD2 B:ASP50 4.6 35.1 1.0 O B:HOH446 4.6 31.9 1.0 O B:HOH545 4.6 28.9 1.0 O B:HOH425 4.8 15.4 1.0 CD B:GLU76 5.0 22.0 1.0

Calcium binding site 2 out of 3 in the Apo Structure of the T130K Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Apo Structure of the T130K Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:30.8 occ:1.00 O A:HOH539 2.5 21.9 1.0 O A:HOH619 2.5 44.1 1.0 O A:HOH681 2.5 32.0 1.0 O A:HOH437 2.5 21.6 1.0 O A:HOH636 2.6 40.8 1.0 ND2 A:ASN78 2.6 23.5 1.0 O A:HOH617 2.7 31.2 1.0 O A:HOH644 2.7 39.8 1.0 O A:HOH471 3.0 39.7 1.0 CG A:ASN78 3.6 19.1 1.0 CB A:ASN78 4.1 18.1 1.0 OD1 A:ASP80 4.2 25.9 1.0 OD2 A:ASP80 4.4 21.7 1.0 OD1 A:ASN78 4.5 28.6 1.0 O A:HOH446 4.5 41.3 1.0 CG A:ASP80 4.7 24.1 1.0 O A:PHE64 4.9 17.9 1.0 O A:HOH541 4.9 36.1 1.0 CB A:SER65 4.9 21.8 1.0

Calcium binding site 3 out of 3 in the Apo Structure of the T130K Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Apo Structure of the T130K Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:24.2 occ:1.00 O A:HOH409 2.4 24.8 1.0 OE2 B:GLU145 2.5 35.8 1.0 O A:HOH591 2.5 35.7 1.0 OE1 B:GLU145 2.5 22.9 1.0 O A:HOH438 2.5 24.8 1.0 O B:HOH475 2.5 37.6 1.0 O A:HOH465 2.5 20.4 1.0 O A:HOH557 2.6 29.7 1.0 O B:HOH562 2.6 30.8 1.0 CD B:GLU145 2.8 35.4 1.0 OE2 A:GLU76 4.0 31.5 1.0 NZ A:LYS74 4.0 36.1 1.0 CG B:GLU145 4.3 30.4 1.0 OE1 A:GLU67 4.3 27.3 1.0 OD2 A:ASP50 4.4 26.0 1.0 OE1 A:GLU52 4.5 33.6 1.0 O B:GLU141 4.5 16.5 1.0 O A:HOH540 4.6 33.0 1.0 O A:HOH436 4.7 17.0 1.0 O A:HOH412 4.7 38.0 1.0 O B:HOH479 4.9 33.5 1.0 CE A:LYS74 4.9 34.2 1.0

M.J.Cuneo, B.Selvaraj. Catch and Release: A Novel Variation of the Archetypal Nucleotidyl Transfer Reaction To Be Published.