Calcium in PDB 3e45: Q138F Hincii Bound to Noncognate Dna (Gtgcac) and CA2+

All present enzymatic activity of Q138F Hincii Bound to Noncognate Dna (Gtgcac) and CA2+:
3.1.21.4;

The structure of Q138F Hincii Bound to Noncognate Dna (Gtgcac) and CA2+, PDB code: 3e45 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)	44.98 / 2.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.620, 92.200, 66.610, 90.00, 105.19, 90.00
R / Rfree (%)	17.9 / 27.4

The structure of Q138F Hincii Bound to Noncognate Dna (Gtgcac) and CA2+ also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Q138F Hincii Bound to Noncognate Dna (Gtgcac) and CA2+ (pdb code 3e45). 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 Noncognate Dna (Gtgcac) and CA2+, PDB code: 3e45:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Q138F Hincii Bound to Noncognate Dna (Gtgcac) and 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 Noncognate Dna (Gtgcac) and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca259 b:20.3 occ:1.00 OP2 F:DA9 2.3 19.1 1.0 OP1 F:DC8 2.4 19.8 1.0 OD1 A:ASP127 2.6 20.6 1.0 O A:VAL128 2.7 20.3 1.0 OD1 A:ASP114 2.7 20.7 1.0 O A:HOH268 2.7 12.3 1.0 O F:HOH209 3.0 18.8 1.0 P F:DC8 3.4 14.8 1.0 CG A:ASP114 3.5 20.3 1.0 P F:DA9 3.5 16.2 1.0 OD2 A:ASP114 3.6 21.6 1.0 C5' F:DC8 3.7 16.1 1.0 CG A:ASP127 3.7 22.0 1.0 O5' F:DC8 3.8 15.3 1.0 C A:VAL128 3.9 22.7 1.0 OP1 F:DA9 3.9 19.2 1.0 O F:HOH105 4.0 17.9 1.0 OP2 F:DC8 4.0 18.5 1.0 NZ A:LYS129 4.0 15.9 1.0 OD2 A:ASP127 4.1 21.0 1.0 N A:VAL128 4.4 24.9 1.0 O3' F:DC8 4.4 17.9 1.0 CD A:LYS129 4.6 22.2 1.0 CA A:VAL128 4.6 23.6 1.0 C4' F:DC8 4.6 19.3 1.0 O F:HOH324 4.7 26.0 1.0 O5' F:DA9 4.7 22.7 1.0 O3' F:DG7 4.7 21.0 1.0 N A:LYS129 4.8 25.5 1.0 C A:ASP127 4.9 24.9 1.0 CE A:LYS129 4.9 17.5 1.0 C3' F:DC8 4.9 20.6 1.0 CB A:ASP114 4.9 20.1 1.0 CA A:LYS129 4.9 25.3 1.0 CB A:VAL128 4.9 23.3 1.0 CB A:ASP127 5.0 19.9 1.0

Calcium binding site 2 out of 2 in the Q138F Hincii Bound to Noncognate Dna (Gtgcac) and 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 Noncognate Dna (Gtgcac) and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca15 b:17.5 occ:1.00 OP1 E:DC8 2.4 21.8 1.0 OD2 B:ASP114 2.6 21.0 1.0 O B:VAL128 2.6 25.7 1.0 OD2 B:ASP127 2.6 22.6 1.0 O B:HOH413 2.9 16.9 1.0 OP2 E:DA9 3.0 23.7 1.0 OP1 E:DA9 3.0 22.8 1.0 P E:DC8 3.4 19.0 1.0 P E:DA9 3.4 18.9 1.0 CG B:ASP114 3.5 23.2 1.0 C5' E:DC8 3.6 18.8 1.0 C B:VAL128 3.7 24.0 1.0 CG B:ASP127 3.8 24.1 1.0 OD1 B:ASP114 3.8 28.6 1.0 O5' E:DC8 3.8 16.8 1.0 OP2 E:DC8 4.0 17.6 1.0 NZ B:LYS129 4.1 23.4 1.0 N B:VAL128 4.1 23.0 1.0 O E:HOH42 4.2 20.1 1.0 OD1 B:ASP127 4.2 24.4 1.0 O3' E:DC8 4.2 22.6 1.0 CE B:LYS129 4.4 22.2 1.0 CD B:LYS129 4.5 27.1 1.0 CA B:VAL128 4.5 21.9 1.0 C4' E:DC8 4.6 22.3 1.0 N B:LYS129 4.7 25.9 1.0 O3' E:DG7 4.7 25.9 1.0 C3' E:DC8 4.7 25.0 1.0 O5' E:DA9 4.8 31.6 1.0 CA B:LYS129 4.9 23.3 1.0 CB B:ASP114 4.9 21.2 1.0 C B:ASP127 4.9 26.0 1.0 CB B:VAL128 4.9 21.5 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