Calcium in PDB 5j4k: Structure of Humanised Rada-Mutant HUMRADA22F in Complex with 1- Indane-6-Carboxylic Acid

The structure of Structure of Humanised Rada-Mutant HUMRADA22F in Complex with 1- Indane-6-Carboxylic Acid, PDB code: 5j4k was solved by G.Fischer, M.Marsh, T.Moschetti, T.Sharpe, D.Scott, M.Morgan, H.Ng, J.Skidmore, A.Venkitaraman, C.Abell, T.L.Blundell, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.20 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.440, 61.214, 87.742, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 16.4

The structure of Structure of Humanised Rada-Mutant HUMRADA22F in Complex with 1- Indane-6-Carboxylic Acid also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the Structure of Humanised Rada-Mutant HUMRADA22F in Complex with 1- Indane-6-Carboxylic Acid (pdb code 5j4k). 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 Structure of Humanised Rada-Mutant HUMRADA22F in Complex with 1- Indane-6-Carboxylic Acid, PDB code: 5j4k:

Calcium binding site 1 out of 1 in the Structure of Humanised Rada-Mutant HUMRADA22F in Complex with 1- Indane-6-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Humanised Rada-Mutant HUMRADA22F in Complex with 1- Indane-6-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:21.8 occ:1.00 H A:THR145 2.5 16.5 0.6 H A:THR145 2.5 16.5 0.5 H A:GLY143 2.6 16.6 1.0 H A:GLN146 2.7 14.8 1.0 O A:HOH624 2.9 34.7 1.0 HG2 A:GLN146 3.0 20.9 1.0 HB A:THR145 3.0 20.1 1.0 HA2 A:GLY143 3.0 17.7 1.0 O A:HOH675 3.1 49.1 1.0 N A:THR145 3.2 13.8 1.0 H A:LYS144 3.2 15.6 0.6 N A:GLY143 3.2 13.8 1.0 C A:GLY143 3.3 13.4 1.0 CA A:GLY143 3.3 14.8 1.0 N A:LYS144 3.3 13.0 0.6 H A:LYS144 3.3 16.6 0.5 N A:LYS144 3.4 13.9 0.5 HA2 A:GLY141 3.5 25.6 1.0 N A:GLN146 3.5 12.4 1.0 HG2 A:LYS144 3.7 23.4 0.5 H A:GLY141 3.7 26.8 1.0 HG2 A:LYS144 3.8 23.6 0.6 CB A:THR145 3.8 16.8 1.0 CG A:GLN146 3.9 17.4 1.0 CA A:THR145 3.9 13.6 1.0 O A:GLY143 3.9 13.5 1.0 HB2 A:GLN146 4.0 16.8 1.0 CA A:GLY141 4.1 21.4 1.0 C A:LYS144 4.1 13.4 0.5 C A:LYS144 4.1 13.4 0.6 C A:GLY141 4.2 17.8 1.0 C A:THR145 4.2 13.9 1.0 HG3 A:GLN146 4.2 20.9 1.0 HE21 A:GLN146 4.2 34.4 1.0 HG3 A:LYS144 4.2 23.6 0.6 CA A:LYS144 4.2 13.5 0.6 N A:GLY141 4.3 22.3 1.0 HA3 A:GLY143 4.3 17.7 1.0 CA A:LYS144 4.3 14.1 0.5 N A:SER142 4.3 15.8 1.0 CB A:GLN146 4.3 14.0 1.0 H A:SER142 4.3 18.9 1.0 HG3 A:LYS144 4.4 23.4 0.5 CG A:LYS144 4.4 19.6 0.6 OG1 A:THR145 4.4 22.1 1.0 CG A:LYS144 4.4 19.5 0.5 C A:SER142 4.5 13.2 1.0 HZ2 A:LYS144 4.5 27.4 0.6 CA A:GLN146 4.5 12.5 1.0 O A:GLY141 4.6 19.3 1.0 HA A:THR145 4.8 16.3 1.0 O A:HOH601 4.8 26.9 1.0 HD13 A:ILE342 4.8 26.2 1.0 NE2 A:GLN146 4.8 28.7 1.0 CD A:GLN146 4.9 21.7 1.0 HD11 A:ILE342 4.9 26.2 1.0 CB A:LYS144 4.9 17.5 0.6 H A:LEU147 4.9 13.2 1.0 HG22 A:THR145 5.0 21.4 1.0 CG2 A:THR145 5.0 17.9 1.0 HA3 A:GLY141 5.0 25.6 1.0 CB A:LYS144 5.0 16.8 0.5 HG A:SER142 5.0 22.2 1.0

T.Moschetti, T.Sharpe, G.Fischer, M.E.Marsh, H.K.Ng, M.Morgan, D.E.Scott, T.L.Blundell, A.R Venkitaraman, J.Skidmore, C.Abell, M.Hyvonen. Engineering Archeal Surrogate Systems For the Development of Protein-Protein Interaction Inhibitors Against Human RAD51. J.Mol.Biol. V. 428 4589 2016.
ISSN: ESSN 1089-8638
PubMed: 27725183
DOI: 10.1016/J.JMB.2016.10.009