Barium in PDB 7ecf: Crystal Structure of D(G4C2)2-Ba in C2221 Space Group

The structure of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group, PDB code: 7ecf was solved by Y.Geng, C.Liu, Q.Cai, Z.Luo, G.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.84 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.841, 110.076, 56.675, 90, 90, 90
R / Rfree (%)	14.1 / 17.1

The binding sites of Barium atom in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group (pdb code 7ecf). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 7 binding sites of Barium where determined in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group, PDB code: 7ecf:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6; 7;

Barium binding site 1 out of 7 in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:27.0 occ:1.00 O6 A:DG3 2.7 27.2 1.0 O6 B:DG10 2.7 27.7 1.0 O6 B:DG3 2.7 26.4 1.0 O6 A:DG10 2.7 30.1 1.0 O6 A:DG9 2.7 27.8 1.0 O6 A:DG4 2.8 25.1 1.0 O6 B:DG9 2.8 25.1 1.0 O6 B:DG4 2.8 26.1 1.0 C6 A:DG9 3.6 27.6 1.0 C6 B:DG9 3.6 27.1 1.0 C6 A:DG3 3.6 26.6 1.0 C6 B:DG3 3.6 28.8 1.0 C6 B:DG10 3.7 29.2 1.0 C6 A:DG10 3.7 28.3 1.0 C6 A:DG4 3.7 29.9 1.0 C6 B:DG4 3.8 27.0 1.0 N1 A:DG9 3.9 28.2 1.0 N1 B:DG9 3.9 27.2 1.0 N1 A:DG3 3.9 30.6 1.0 N1 B:DG3 4.0 29.8 1.0 N1 B:DG10 4.0 28.4 1.0 N1 A:DG10 4.0 28.8 1.0 N1 A:DG4 4.1 28.2 1.0 N1 B:DG4 4.1 32.2 1.0 N4 E:DC12 4.7 39.9 1.0 C5 A:DG9 4.8 26.6 1.0 C5 B:DG9 4.8 27.1 1.0 C5 A:DG3 4.8 30.8 1.0 C5 B:DG3 4.8 28.7 1.0 C5 B:DG10 5.0 28.7 1.0 C5 A:DG10 5.0 29.9 1.0 C5 A:DG4 5.0 33.1 1.0

Barium binding site 2 out of 7 in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba102 b:25.5 occ:1.00 O6 A:DG7 2.7 21.7 1.0 O6 B:DG7 2.7 23.1 1.0 O6 B:DG1 2.7 26.4 1.0 O6 A:DG8 2.7 24.1 1.0 O6 B:DG2 2.7 24.5 1.0 O6 B:DG8 2.8 23.5 1.0 O6 A:DG2 2.8 27.9 1.0 O6 A:DG1 2.8 26.4 1.0 C6 B:DG1 3.6 27.0 1.0 C6 A:DG7 3.6 28.2 1.0 C6 A:DG1 3.6 27.6 1.0 C6 B:DG7 3.7 29.1 1.0 C6 A:DG2 3.7 28.6 1.0 C6 B:DG2 3.7 31.9 1.0 C6 B:DG8 3.7 25.0 1.0 C6 A:DG8 3.7 25.9 1.0 N1 A:DG7 3.9 28.6 1.0 N1 B:DG7 4.0 25.7 1.0 N1 A:DG2 4.0 25.4 1.0 N1 B:DG1 4.0 25.4 1.0 N1 A:DG1 4.0 28.1 1.0 N1 B:DG2 4.0 29.0 1.0 N1 B:DG8 4.0 28.0 1.0 N1 A:DG8 4.1 29.9 1.0 C5 B:DG1 4.8 27.8 1.0 C5 A:DG1 4.9 26.9 1.0 C5 A:DG7 4.9 27.2 1.0 C5 B:DG7 4.9 27.2 1.0 C5 A:DG8 4.9 26.1 1.0 C5 A:DG2 4.9 25.8 1.0 C5 B:DG8 4.9 29.6 1.0 C5 B:DG2 5.0 25.5 1.0

Barium binding site 3 out of 7 in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba103 b:39.7 occ:0.50 O C:HOH213 2.5 44.8 1.0 O A:HOH214 2.6 41.3 1.0 O C:HOH203 2.7 49.5 1.0 O C:HOH212 2.8 43.2 1.0 O A:HOH211 2.9 49.8 1.0 O E:HOH205 3.0 41.1 1.0 O C:HOH210 4.1 36.8 1.0 OP2 C:DC5 4.7 55.7 1.0 OP2 A:DG9 4.7 42.3 1.0 O A:HOH204 4.8 33.9 1.0

Barium binding site 4 out of 7 in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ C:Ba101 b:30.3 occ:1.00 O6 C:DG9 2.7 28.7 1.0 O6 C:DG3 2.7 32.9 1.0 O6 D:DG4 2.7 32.5 1.0 O6 D:DG10 2.7 29.6 1.0 O6 D:DG3 2.7 27.8 1.0 O6 D:DG9 2.7 30.1 1.0 O6 C:DG10 2.7 31.0 1.0 O6 C:DG4 2.8 33.5 1.0 C6 C:DG9 3.6 31.0 1.0 C6 C:DG3 3.6 33.6 1.0 C6 D:DG9 3.6 31.6 1.0 C6 D:DG3 3.6 29.2 1.0 C6 D:DG4 3.7 28.8 1.0 C6 D:DG10 3.7 34.4 1.0 C6 C:DG10 3.7 30.9 1.0 C6 C:DG4 3.8 33.5 1.0 N1 C:DG9 3.9 28.0 1.0 N1 C:DG3 3.9 31.3 1.0 N1 D:DG9 3.9 32.0 1.0 N1 D:DG3 3.9 34.8 1.0 N1 D:DG4 4.0 38.1 1.0 N1 D:DG10 4.0 39.0 1.0 N1 C:DG10 4.1 36.4 1.0 N1 C:DG4 4.1 35.0 1.0 C5 C:DG9 4.8 32.7 1.0 C5 D:DG9 4.8 34.1 1.0 C5 C:DG3 4.8 33.0 1.0 C5 D:DG3 4.8 28.1 1.0 C5 D:DG4 5.0 34.2 1.0 C5 D:DG10 5.0 39.5 1.0

Barium binding site 5 out of 7 in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ C:Ba102 b:29.9 occ:1.00 O6 D:DG8 2.7 31.5 1.0 O6 D:DG2 2.7 27.5 1.0 O6 D:DG1 2.7 29.3 1.0 O6 C:DG7 2.7 31.3 1.0 O6 D:DG7 2.7 29.3 1.0 O6 C:DG8 2.7 27.3 1.0 O6 C:DG2 2.8 31.4 1.0 O6 C:DG1 2.8 33.6 1.0 C6 D:DG7 3.6 32.5 1.0 C6 D:DG1 3.6 30.9 1.0 C6 C:DG1 3.6 29.8 1.0 C6 C:DG7 3.7 35.1 1.0 C6 D:DG8 3.7 34.7 1.0 C6 D:DG2 3.7 29.0 1.0 C6 C:DG2 3.7 33.2 1.0 C6 C:DG8 3.7 31.0 1.0 N1 D:DG7 3.9 34.5 1.0 N1 D:DG1 3.9 29.7 1.0 N1 C:DG7 4.0 34.6 1.0 N1 C:DG1 4.0 31.7 1.0 N1 D:DG8 4.0 30.4 1.0 N1 C:DG2 4.0 36.9 1.0 N1 D:DG2 4.0 32.5 1.0 N1 C:DG8 4.0 30.7 1.0 C5 D:DG7 4.8 29.7 1.0 C5 C:DG1 4.9 33.2 1.0 C5 D:DG1 4.9 29.2 1.0 C5 C:DG7 4.9 34.0 1.0 C5 D:DG2 4.9 32.0 1.0 C5 C:DG2 4.9 33.5 1.0 C5 D:DG8 4.9 27.8 1.0 C5 C:DG8 5.0 29.7 1.0

Barium binding site 6 out of 7 in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ E:Ba101 b:26.5 occ:1.00 O6 F:DG8 2.6 28.6 1.0 O6 E:DG7 2.7 27.7 1.0 O6 E:DG8 2.7 27.5 1.0 O6 F:DG2 2.7 27.6 1.0 O6 E:DG2 2.7 28.5 1.0 O6 F:DG1 2.7 25.5 1.0 O6 E:DG1 2.7 24.0 1.0 O6 F:DG7 2.8 23.2 1.0 C6 F:DG8 3.6 33.4 1.0 C6 E:DG7 3.6 24.7 1.0 C6 E:DG8 3.7 29.6 1.0 C6 E:DG1 3.7 28.5 1.0 C6 F:DG2 3.7 31.9 1.0 C6 F:DG1 3.7 25.7 1.0 C6 E:DG2 3.7 30.0 1.0 C6 F:DG7 3.7 29.7 1.0 N1 F:DG2 4.0 31.9 1.0 N1 E:DG7 4.0 26.5 1.0 N1 F:DG1 4.0 25.8 1.0 N1 F:DG7 4.0 30.3 1.0 N1 E:DG1 4.0 27.5 1.0 N1 E:DG2 4.0 35.3 1.0 N1 E:DG8 4.0 34.2 1.0 N1 F:DG8 4.0 29.3 1.0 C5 E:DG1 4.9 30.8 1.0 C5 F:DG1 4.9 31.6 1.0 C5 F:DG8 4.9 35.1 1.0 C5 E:DG7 4.9 27.9 1.0 C5 E:DG8 4.9 31.5 1.0 C5 E:DG2 4.9 36.4 1.0 C5 F:DG2 4.9 32.1 1.0 C5 F:DG7 4.9 29.8 1.0

Barium binding site 7 out of 7 in the Crystal Structure of D(G4C2)2-Ba in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 7 of Crystal Structure of D(G4C2)2-Ba in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ E:Ba102 b:27.7 occ:1.00 O6 E:DG9 2.7 23.4 1.0 O6 F:DG3 2.7 27.1 1.0 O6 E:DG4 2.7 29.8 1.0 O6 F:DG10 2.7 26.8 1.0 O6 F:DG4 2.7 28.7 1.0 O6 E:DG3 2.7 27.9 1.0 O6 F:DG9 2.7 25.8 1.0 O6 E:DG10 2.8 31.8 1.0 C6 E:DG9 3.6 29.4 1.0 C6 F:DG9 3.6 26.8 1.0 C6 F:DG3 3.6 27.6 1.0 C6 E:DG3 3.6 34.2 1.0 C6 E:DG4 3.7 28.4 1.0 C6 F:DG4 3.7 24.4 1.0 C6 F:DG10 3.7 27.9 1.0 C6 E:DG10 3.8 30.0 1.0 N1 E:DG9 3.9 27.2 1.0 N1 F:DG9 3.9 27.3 1.0 N1 E:DG3 3.9 28.2 1.0 N1 F:DG3 3.9 31.3 1.0 N1 F:DG4 4.0 31.3 1.0 N1 E:DG4 4.1 27.5 1.0 N1 F:DG10 4.1 28.4 1.0 N1 E:DG10 4.1 30.2 1.0 N4 B:DC12 4.1 33.1 1.0 C4 B:DC12 4.6 28.3 1.0 C5 E:DG9 4.8 29.6 1.0 C5 F:DG9 4.8 30.9 1.0 C5 F:DG3 4.8 27.1 1.0 C5 E:DG3 4.9 26.8 1.0 C5 E:DG4 5.0 33.2 1.0 N3 B:DC12 5.0 36.4 1.0 C5 F:DG4 5.0 29.5 1.0

Y.Geng, C.Liu, Q.Cai, Z.Luo, H.Miao, X.Shi, N.Xu, C.P.Fung, T.T.Choy, B.Yan, N.Li, P.Qian, B.Zhou, G.Zhu. Crystal Structure of Parallel G-Quadruplex Formed By the Two-Repeat Als- and Ftd-Related Ggggcc Sequence. Nucleic Acids Res. 2021.
ISSN: ESSN 1362-4962
PubMed: 34048588
DOI: 10.1093/NAR/GKAB302