Calcium in PDB 3e42: Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized)

All present enzymatic activity of Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized):
3.1.21.4;

The structure of Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized), PDB code: 3e42 was solved by N.C.Horton, A.C.Babic, E.J.Little, V.M.Manohar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.46 / 2.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.030, 90.140, 66.440, 90.00, 104.40, 90.00
R / Rfree (%)	18.8 / 28.3

The structure of Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized) (pdb code 3e42). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized), PDB code: 3e42:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca260 b:43.5 occ:1.00 OD1 A:ASP114 2.5 37.5 1.0 OP1 F:DG8 2.6 39.5 1.0 OD1 A:ASP127 2.6 42.9 1.0 O A:VAL128 2.6 48.6 1.0 O A:HOH289 2.7 46.4 1.0 OP2 F:DA9 2.8 38.7 1.0 CG A:ASP114 3.2 39.1 1.0 OD2 A:ASP114 3.3 47.3 1.0 P F:DG8 3.4 33.5 1.0 C A:VAL128 3.5 42.7 1.0 N A:VAL128 3.7 41.5 1.0 CG A:ASP127 3.8 44.1 1.0 OP2 F:DG8 3.8 37.3 1.0 C5' F:DG8 3.8 38.0 1.0 O5' F:DG8 3.9 35.5 1.0 O F:HOH60 4.0 34.7 1.0 P F:DA9 4.1 43.2 1.0 CA A:VAL128 4.1 42.5 1.0 OD2 A:ASP127 4.3 43.8 1.0 NZ A:LYS129 4.4 37.2 1.0 N A:LYS129 4.5 41.5 1.0 CE A:LYS129 4.5 38.1 1.0 CD A:LYS129 4.6 37.4 1.0 CB A:VAL128 4.6 42.9 1.0 C A:ASP127 4.6 41.9 1.0 OP1 F:DA9 4.6 43.4 1.0 CB A:ASP114 4.7 35.8 1.0 O3' F:DG8 4.7 42.0 1.0 CA A:LYS129 4.8 44.1 1.0 O3' F:DC7 4.8 37.7 1.0 CA A:ASP127 4.9 38.2 1.0 C4' F:DG8 4.9 32.0 1.0 CB A:ASP127 4.9 41.3 1.0 O F:HOH124 4.9 44.3 1.0

Calcium binding site 2 out of 2 in the Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Q138F Hincii Bound to Gtcgac and CA2+ (Cocrystallized) within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca15 b:64.2 occ:1.00 O B:VAL128 2.6 64.0 1.0 OD2 B:ASP114 2.7 54.3 1.0 O B:HOH267 2.7 47.4 1.0 OD1 B:ASP127 2.7 59.0 1.0 OP1 E:DG8 2.9 53.9 1.0 OP2 E:DA9 3.1 51.8 1.0 O5' E:DG8 3.3 38.4 1.0 OP1 E:DA9 3.4 63.1 1.0 P E:DG8 3.5 39.8 1.0 P E:DA9 3.6 56.1 1.0 CG B:ASP114 3.7 54.5 1.0 C B:VAL128 3.8 60.7 1.0 CG B:ASP127 3.9 56.5 1.0 OD1 B:ASP114 4.0 63.8 1.0 NZ B:LYS129 4.0 51.1 1.0 CE B:LYS129 4.0 55.5 1.0 OP2 E:DG8 4.0 42.3 1.0 O3' E:DG8 4.1 48.4 1.0 C5' E:DG8 4.1 37.7 1.0 N B:VAL128 4.2 57.0 1.0 CD B:LYS129 4.3 58.8 1.0 OD2 B:ASP127 4.5 52.5 1.0 CA B:VAL128 4.6 56.9 1.0 C3' E:DG8 4.6 45.5 1.0 N B:LYS129 4.7 59.6 1.0 CA B:LYS129 4.8 57.3 1.0 C B:ASP127 4.9 55.5 1.0 C4' E:DG8 4.9 42.4 1.0 O3' E:DC7 4.9 38.3 1.0 CB B:ASP114 4.9 52.0 1.0 CB B:VAL128 5.0 49.9 1.0

A.C.Babic, E.J.Little, V.M.Manohar, J.Bitinaite, N.C.Horton. Dna Distortion and Specificity in A Sequence-Specific Endonuclease. J.Mol.Biol. V. 383 186 2008.
ISSN: ISSN 0022-2836
PubMed: 18762194
DOI: 10.1016/J.JMB.2008.08.032