Calcium in PDB 4h0e: Crystal Structure of Mutant ORR3 in Complex with Ntd of Arar

The structure of Crystal Structure of Mutant ORR3 in Complex with Ntd of Arar, PDB code: 4h0e was solved by D.T.Nair, D.Jain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.34 / 1.97
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.800, 42.620, 67.440, 90.00, 114.92, 90.00
R / Rfree (%)	21.9 / 25.3

The binding sites of Calcium atom in the Crystal Structure of Mutant ORR3 in Complex with Ntd of Arar (pdb code 4h0e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Mutant ORR3 in Complex with Ntd of Arar, PDB code: 4h0e:

Calcium binding site 1 out of 1 in the Crystal Structure of Mutant ORR3 in Complex with Ntd of Arar


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 Mutant ORR3 in Complex with Ntd of Arar within 5.0Å range: probe atom residue distance (Å) B Occ T:Ca102 b:31.7 occ:1.00 O2 T:DT20 2.6 29.1 1.0 O A:HOH114 2.7 27.4 1.0 O A:GLY62 2.7 32.0 1.0 O2 U:DT4 2.7 32.2 1.0 O U:HOH223 2.7 30.9 1.0 O4' T:DT21 3.3 33.6 1.0 O4' U:DT5 3.7 27.5 1.0 C2 T:DT20 3.8 30.9 1.0 C4' T:DT21 3.8 33.7 1.0 C A:GLY62 3.9 33.3 1.0 C2 U:DT4 3.9 30.5 1.0 C5' T:DT21 4.2 31.4 1.0 C1' T:DT21 4.3 37.9 1.0 C4' U:DT5 4.3 29.4 1.0 C1' T:DT20 4.4 31.4 1.0 C1' U:DT4 4.4 32.6 1.0 C5' U:DT5 4.4 28.6 1.0 C2 U:DA3 4.5 31.8 1.0 CA A:GLY62 4.6 26.4 1.0 N1 T:DT20 4.6 32.7 1.0 N1 U:DT4 4.7 30.2 1.0 N1 T:DT21 4.7 32.8 1.0 N3 T:DT20 4.7 30.1 1.0 C1' U:DT5 4.8 30.6 1.0 C2 T:DA19 4.8 37.9 1.0 N3 U:DT4 4.8 36.3 1.0 O2 T:DT21 4.8 32.0 1.0 O A:HOH119 4.8 41.1 1.0 C2 T:DT21 4.9 33.3 1.0 O U:HOH204 4.9 29.8 1.0 N A:GLY63 4.9 28.9 1.0 O4' U:DT4 5.0 32.3 1.0 O U:HOH212 5.0 38.9 1.0

D.Jain, D.T.Nair. Spacing Between Core Recognition Motifs Determines Relative Orientation of Arar Monomers on Bipartite Operators. Nucleic Acids Res. V. 41 639 2013.
ISSN: ISSN 0305-1048
PubMed: 23109551
DOI: 10.1093/NAR/GKS962