Calcium in PDB 3e41: Q138F Hincii Bound to Gtcgac and 5 Mm CA2+

All present enzymatic activity of Q138F Hincii Bound to Gtcgac and 5 Mm CA2+:
3.1.21.4;

The structure of Q138F Hincii Bound to Gtcgac and 5 Mm CA2+, PDB code: 3e41 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)	44.41 / 2.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.060, 90.140, 66.330, 90.00, 104.55, 90.00
R / Rfree (%)	18.4 / 26.6

The structure of Q138F Hincii Bound to Gtcgac and 5 Mm CA2+ also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Q138F Hincii Bound to Gtcgac and 5 Mm CA2+ (pdb code 3e41). 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 5 Mm CA2+, PDB code: 3e41:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Q138F Hincii Bound to Gtcgac and 5 Mm CA2+


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 5 Mm CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca259 b:42.2 occ:1.00 OD1 A:ASP114 2.4 40.8 1.0 OP1 F:DG8 2.5 36.3 1.0 O A:VAL128 2.6 50.2 1.0 O A:HOH272 2.6 35.9 1.0 OD1 A:ASP127 2.6 38.3 1.0 OP2 F:DA9 2.7 40.9 1.0 O A:HOH284 2.8 44.7 1.0 CG A:ASP114 3.3 40.8 1.0 OD2 A:ASP114 3.4 46.0 1.0 C A:VAL128 3.5 43.9 1.0 P F:DG8 3.6 30.1 1.0 N A:VAL128 3.6 44.8 1.0 CG A:ASP127 3.8 42.4 1.0 O5' F:DG8 3.8 32.8 1.0 C5' F:DG8 3.9 37.3 1.0 P F:DA9 3.9 49.3 1.0 CA A:VAL128 4.0 41.3 1.0 CE A:LYS129 4.2 35.0 1.0 OP2 F:DG8 4.2 33.7 1.0 O A:HOH289 4.2 34.4 1.0 OP1 F:DA9 4.4 50.4 1.0 NZ A:LYS129 4.4 35.5 1.0 OD2 A:ASP127 4.4 41.2 1.0 CB A:VAL128 4.5 42.5 1.0 N A:LYS129 4.5 42.5 1.0 C A:ASP127 4.5 45.5 1.0 O3' F:DG8 4.6 46.5 1.0 CB A:ASP114 4.7 38.9 1.0 O A:HOH265 4.8 45.4 1.0 O3' F:DC7 4.8 37.5 1.0 CA A:ASP127 4.8 38.7 1.0 CA A:LYS129 4.9 43.3 1.0 CB A:ASP127 4.9 38.0 1.0 C4' F:DG8 4.9 32.7 1.0

Calcium binding site 2 out of 2 in the Q138F Hincii Bound to Gtcgac and 5 Mm CA2+


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 5 Mm CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca259 b:67.7 occ:1.00 OD1 B:ASP114 2.6 63.2 1.0 OD1 B:ASP127 2.7 59.6 1.0 O B:VAL128 2.8 63.1 1.0 O B:HOH282 2.9 57.0 1.0 OP1 E:DG8 3.0 54.4 1.0 OP1 E:DA9 3.3 69.8 1.0 OP2 E:DA9 3.4 55.9 1.0 CG B:ASP114 3.4 64.5 1.0 O5' E:DG8 3.5 45.7 1.0 OD2 B:ASP114 3.6 68.6 1.0 P E:DA9 3.7 61.3 1.0 P E:DG8 3.7 48.4 1.0 CG B:ASP127 3.8 63.2 1.0 C B:VAL128 3.9 59.2 1.0 CG2 B:VAL128 4.0 69.2 1.0 O3' E:DG8 4.1 57.5 1.0 N B:VAL128 4.2 60.9 1.0 C5' E:DG8 4.2 45.5 1.0 OD2 B:ASP127 4.3 52.8 1.0 OP2 E:DG8 4.4 37.7 1.0 O B:HOH276 4.5 43.9 1.0 CA B:VAL128 4.6 60.5 1.0 CB B:ASP114 4.7 57.1 1.0 C3' E:DG8 4.8 51.6 1.0 N B:LYS129 4.8 63.7 1.0 C B:ASP127 4.9 60.7 1.0 CA B:LYS129 4.9 63.4 1.0 C4' E:DG8 4.9 47.7 1.0 CB B:VAL128 5.0 58.7 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