Calcium in PDB 4hri: Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena

The structure of Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena, PDB code: 4hri was solved by H.X.Hu, Y.L.Jiang, M.X.Zhao, Y.Chen, C.C.Zhang, C.Z.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.08 / 2.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.883, 89.883, 242.288, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 30.7

The binding sites of Calcium atom in the Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena (pdb code 4hri). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena, PDB code: 4hri:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca101 b:0.6 occ:1.00 O2 C:DT11 3.4 98.5 1.0 O4' C:DA12 3.9 66.0 1.0 C4' C:DA12 4.4 60.1 1.0 C2 D:DA11 4.5 69.5 1.0 C2 C:DT11 4.6 69.3 1.0 C5' C:DA12 4.7 66.8 1.0 N3 D:DA11 4.7 71.0 1.0 N3 C:DA12 5.0 90.4 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca102 b:0.2 occ:1.00 O6 C:DG7 4.0 98.6 1.0 N7 C:DG7 4.1 77.0 1.0 N7 C:DG8 4.2 68.3 1.0 O6 C:DG8 4.5 89.5 1.0 C6 C:DG7 4.6 68.3 1.0 C5 C:DG7 4.7 62.3 1.0 NZ B:LYS73 5.0 64.9 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Hetr in Complex with A 21-Bp Palindromic Dna at the Upstream of the Hetp Promoter From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:0.7 occ:1.00 O6 D:DG7 4.0 69.8 1.0 N7 D:DG7 4.2 57.2 1.0 O6 D:DG8 4.2 94.4 1.0 CD A:LYS73 4.5 87.2 1.0 NZ A:LYS73 4.5 62.7 1.0 CE A:LYS73 4.5 81.4 1.0 N7 D:DG8 4.6 71.7 1.0 C6 D:DG7 4.7 62.4 1.0 C5 D:DG7 4.8 64.9 1.0

H.X.Hu, Y.L.Jiang, M.X.Zhao, P.F.Zhu, X.Y.Yang, B.Wen, Z.Zhang, Q.Wu, Y.Chen, C.C.Zhang, C.Z.Zhou. Structural and Biochemical Analyses of Anabaena Hetr Reveal Insights Into Its Binding to Dna Targets and the Inhibitory Hexapeptide Ergsgr To Be Published.