Calcium in PDB 7lxj: Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site

The structure of Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site, PDB code: 7lxj was solved by E.A.Mullins, B.F.Eichman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.43 / 1.93
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.715, 55.661, 47.991, 90, 112.2, 90
R / Rfree (%)	15.4 / 20.1

The binding sites of Calcium atom in the Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site (pdb code 7lxj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site, PDB code: 7lxj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:61.7 occ:1.00 O A:HOH473 2.4 48.2 1.0 OD1 A:ASP142 2.5 47.6 1.0 O A:HOH500 2.6 43.3 1.0 O A:HOH523 2.6 59.4 1.0 O A:HOH474 2.8 48.6 1.0 CG A:ASP142 3.5 53.0 1.0 OD2 A:ASP142 3.8 65.3 1.0 HE22 A:GLN147 4.1 34.0 1.0 HA A:ALA140 4.3 34.7 1.0 HE21 A:GLN147 4.4 34.0 1.0 HA A:ASP142 4.5 34.9 1.0 O A:ILE139 4.6 22.5 1.0 NE2 A:GLN147 4.6 28.3 1.0 O A:ALA140 4.7 29.0 1.0 H A:ASP142 4.7 30.6 1.0 CB A:ASP142 4.8 34.1 1.0

Calcium binding site 2 out of 2 in the Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacillus Cereus Dna Glycosylase Alkd Bound to A Duocarmycin Sa-Adenine Nucleobase Adduct and Dna Containing An Abasic Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:35.6 occ:1.00 O B:HOH201 2.3 30.4 1.0 O B:HOH211 2.4 30.6 1.0 O B:HOH204 2.5 38.4 1.0 O A:HOH508 2.5 39.6 1.0 N7 B:DG7 2.5 25.1 1.0 HZ2 A:LYS183 3.2 60.7 1.0 H8 B:DG7 3.3 27.2 1.0 C8 B:DG7 3.3 22.6 1.0 C5 B:DG7 3.7 28.0 1.0 NZ A:LYS183 4.0 50.6 1.0 HZ1 A:LYS183 4.1 60.7 1.0 O6 B:DG7 4.1 27.3 1.0 O2P B:ORP6 4.1 38.3 1.0 O B:HOH212 4.2 30.6 1.0 C6 B:DG7 4.3 34.3 1.0 O B:HOH209 4.3 42.5 1.0 HZ3 A:LYS183 4.3 60.7 1.0 O6 B:DG8 4.4 23.1 1.0 OP2 B:DG7 4.4 30.4 1.0 O C:HOH107 4.5 39.0 1.0 N9 B:DG7 4.6 25.9 1.0 N17 B:YNY102 4.6 26.5 1.0 O C:HOH117 4.7 68.6 1.0 H5'' B:DG7 4.8 41.2 1.0 C4 B:DG7 4.8 26.8 1.0 H181 B:YNY102 4.8 33.8 1.0 HD2 A:LYS183 4.9 51.6 1.0 H42 C:DC3 4.9 30.1 1.0 HE3 A:LYS183 4.9 59.1 1.0 N7 B:DG8 5.0 26.1 1.0 C18 B:YNY102 5.0 28.2 1.0

E.A.Mullins, J.Dorival, G.L.Tang, D.L.Boger, B.F.Eichman. Structural Evolution of A Dna Repair Self-Resistance Mechanism Targeting Duocarmycin Family Secondary Metabolites To Be Published.