Calcium in PDB 6tw4: HUMRADA22F in Complex with Compound 6

The structure of HUMRADA22F in Complex with Compound 6, PDB code: 6tw4 was solved by M.E.Marsh, D.E.Scott, A.G.Coyne, J.Skidmore, C.Abell, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.21 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.39, 60.15, 88.2, 90, 90, 90
R / Rfree (%)	17.8 / 21

The binding sites of Calcium atom in the HUMRADA22F in Complex with Compound 6 (pdb code 6tw4). 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 HUMRADA22F in Complex with Compound 6, PDB code: 6tw4:

Calcium binding site 1 out of 1 in the HUMRADA22F in Complex with Compound 6


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of HUMRADA22F in Complex with Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:31.6 occ:1.00 O A:HOH611 2.9 51.7 1.0 O A:HOH599 3.1 34.3 1.0 N A:GLY143 3.2 19.7 1.0 N A:THR145 3.2 16.2 1.0 CA A:GLY143 3.2 19.4 1.0 C A:GLY143 3.3 22.6 1.0 N A:LYS144 3.4 19.6 1.0 N A:GLN146 3.5 17.0 1.0 CB A:THR145 3.8 27.7 1.0 CG A:GLN146 3.9 23.9 1.0 CA A:THR145 3.9 17.6 1.0 CA A:GLY141 3.9 26.4 1.0 O A:GLY143 4.0 19.7 1.0 C A:GLY141 4.0 27.1 1.0 C A:LYS144 4.1 20.1 1.0 C A:THR145 4.2 21.5 1.0 N A:GLY141 4.2 26.7 1.0 N A:SER142 4.2 21.6 1.0 CB A:GLN146 4.2 18.4 1.0 CA A:LYS144 4.3 18.1 1.0 O A:GLY141 4.4 26.8 1.0 OG1 A:THR145 4.4 28.4 1.0 C A:SER142 4.4 22.6 1.0 CA A:GLN146 4.4 17.1 1.0 CG A:LYS144 4.5 23.3 1.0 O A:HOH567 4.7 32.8 1.0 NE2 A:GLN146 4.8 34.3 1.0 CD A:GLN146 4.9 33.8 1.0 CA A:SER142 5.0 20.6 1.0

D.E.Scott, N.-J.Francis, J.Skidmore, T.L.Blundell, C.Abell, M.Hyvonen, A.R.Venkitaraman. A Small Molecule Inhibitor of the RAD51-BRCA2 Interaction Modulates RAD51 Assembly and Potentiates Dna Damage-Induced Cell Death To Be Published.