Manganese in PDB 3e44: Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+

All present enzymatic activity of Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+:
3.1.21.4;

The structure of Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+, PDB code: 3e44 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)	63.83 / 2.52
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.694, 91.788, 66.180, 90.00, 105.30, 90.00
R / Rfree (%)	18 / 25.7

The binding sites of Manganese atom in the Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+ (pdb code 3e44). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+, PDB code: 3e44:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn259 b:56.0 occ:1.00 O A:VAL128 2.3 38.6 1.0 O H:HOH196 2.4 42.2 1.0 OD1 A:ASP114 2.5 34.5 1.0 OE2 A:GLU38 2.7 47.1 1.0 OP1 H:DA8 2.8 33.5 1.0 OP3 H:DA8 3.1 45.4 1.0 P H:DA8 3.3 63.9 1.0 OP2 H:DA9 3.3 44.7 1.0 CG A:ASP114 3.4 37.9 1.0 C A:VAL128 3.4 35.0 1.0 OD2 A:ASP114 3.6 36.8 1.0 CD A:GLU38 3.7 55.0 1.0 O5' H:DA8 3.8 55.1 1.0 N A:VAL128 4.1 29.6 1.0 OE1 A:GLU38 4.2 52.9 1.0 CA A:VAL128 4.2 32.1 1.0 P H:DA9 4.2 41.3 1.0 CB A:VAL128 4.4 39.1 1.0 N A:LYS129 4.5 35.2 1.0 O3' H:DA8 4.5 43.8 1.0 O G:HOH115 4.5 37.5 1.0 C3' H:DA8 4.6 44.4 1.0 OP1 H:DA9 4.6 40.1 1.0 OP2 H:DA8 4.6 51.9 1.0 CA A:LYS129 4.6 34.1 1.0 CB A:ASP114 4.7 34.3 1.0 C5' H:DA8 4.8 45.2 1.0 CG A:GLU38 4.9 49.1 1.0

Manganese binding site 2 out of 4 in the Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn260 b:69.7 occ:1.00 O A:HOH318 2.8 32.2 1.0 O G:HOH418 2.9 35.0 1.0 OD2 A:ASP114 3.0 36.8 1.0 O3' G:DT7 3.1 31.1 1.0 OP3 H:DA8 3.2 45.4 1.0 OD1 A:ASP127 3.2 37.6 1.0 O A:THR112 3.4 25.4 1.0 O A:ASP111 3.5 30.7 1.0 OP2 H:DA8 3.6 51.9 1.0 CG A:ASP114 3.6 37.9 1.0 N A:ASP114 3.6 33.0 1.0 C A:ALA113 3.6 31.3 1.0 O G:HOH115 3.7 37.5 1.0 O H:HOH196 3.8 42.2 1.0 CG A:ASP127 3.8 35.4 1.0 OD2 A:ASP127 3.8 30.4 1.0 P H:DA8 3.8 63.9 1.0 C A:THR112 3.9 28.5 1.0 CA A:ALA113 3.9 29.1 1.0 OD1 A:ASP114 4.0 34.5 1.0 O A:ALA113 4.0 35.2 1.0 N A:ALA113 4.1 27.7 1.0 CA A:ASP114 4.2 30.5 1.0 OP1 H:DA8 4.4 33.5 1.0 CB A:ASP114 4.4 34.3 1.0 C3' G:DT7 4.4 30.4 1.0 C A:ASP111 4.6 33.8 1.0 C4' G:DT7 4.8 28.9 1.0 CA A:THR112 5.0 30.8 1.0

Manganese binding site 3 out of 4 in the Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn259 b:60.4 occ:1.00 OD1 B:ASP114 2.3 40.9 1.0 OP1 F:DA8 2.5 62.1 1.0 O B:VAL128 2.5 43.6 1.0 O F:HOH119 2.8 42.3 1.0 OP3 F:DA8 2.9 47.2 1.0 O B:HOH378 3.0 47.4 1.0 P F:DA8 3.1 69.3 1.0 CG B:ASP114 3.2 44.0 1.0 O F:HOH186 3.3 46.6 1.0 OD2 B:ASP114 3.4 47.6 1.0 OP2 F:DA9 3.5 42.1 1.0 C B:VAL128 3.6 36.6 1.0 O5' F:DA8 4.1 53.5 1.0 N B:VAL128 4.1 42.8 1.0 OP2 F:DA8 4.3 58.0 1.0 CA B:VAL128 4.3 38.2 1.0 CB B:VAL128 4.4 42.8 1.0 P F:DA9 4.4 47.6 1.0 OP1 F:DA9 4.5 44.6 1.0 CB B:ASP114 4.5 38.0 1.0 N B:LYS129 4.6 40.2 1.0 O F:HOH52 4.7 40.8 1.0 CA B:LYS129 4.8 39.8 1.0 C3' F:DA8 4.9 51.3 1.0 O3' F:DA8 4.9 44.5 1.0

Manganese binding site 4 out of 4 in the Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Q138F Hincii Bound to Cleaved Dna (Gtt | Aac) and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn260 b:74.7 occ:1.00 O F:HOH157 2.8 40.1 1.0 O B:THR112 3.0 37.4 1.0 O3' E:DT7 3.1 36.3 1.0 OD1 B:ASP127 3.1 40.0 1.0 O E:HOH17 3.1 37.2 1.0 O B:ASP111 3.2 34.9 1.0 OP2 F:DA8 3.2 58.0 1.0 C B:THR112 3.5 33.4 1.0 OD2 B:ASP114 3.6 47.6 1.0 C B:ALA113 3.6 37.5 1.0 OD2 B:ASP127 3.6 39.1 1.0 N B:ALA113 3.7 31.6 1.0 CG B:ASP127 3.7 41.0 1.0 CA B:ALA113 3.7 35.8 1.0 N B:ASP114 3.7 33.6 1.0 O F:HOH52 3.8 40.8 1.0 O B:ALA113 4.0 38.4 1.0 O F:HOH119 4.1 42.3 1.0 OP1 F:DA8 4.2 62.1 1.0 C B:ASP111 4.2 34.7 1.0 CG B:ASP114 4.3 44.0 1.0 P F:DA8 4.3 69.3 1.0 C3' E:DT7 4.4 36.2 1.0 CA B:ASP114 4.5 35.7 1.0 CA B:THR112 4.5 33.4 1.0 O E:HOH21 4.7 33.0 1.0 C4' E:DT7 4.8 32.7 1.0 OP3 F:DA8 4.8 47.2 1.0 N B:THR112 4.8 33.0 1.0 OD1 B:ASP114 4.9 40.9 1.0 CB B:ASP114 4.9 38.0 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