Chlorine in PDB 5pot: Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N10931A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N10931A, PDB code: 5pot was solved by N.M.Pearce, T.Krojer, R.Talon, A.R.Bradley, M.Fairhead, R.Sethi, N.Wright, E.Maclean, P.Collins, J.Brandao-Neto, A.Douangamath, Z.Renjie, A.Dias, J.Ng, P.E.Brennan, O.Cox, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.07 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.533, 56.623, 101.648, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.8

The structure of Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N10931A also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N10931A (pdb code 5pot). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N10931A, PDB code: 5pot:

Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N10931A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N10931A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:21.4 occ:0.76 CL1 A:8U4203 0.0 21.4 0.8 C8 A:8U4203 1.7 19.1 0.8 C9 A:8U4203 2.7 17.8 0.8 C7 A:8U4203 2.7 20.8 0.8 CZ A:PHE116 3.4 17.8 1.0 CE2 A:PHE116 3.8 18.2 1.0 C4 A:8U4203 4.0 15.3 0.8 C6 A:8U4203 4.0 22.4 0.8 O2 A:EDO201 4.2 17.7 0.1 C2 A:EDO201 4.2 19.0 0.1 CE1 A:PHE116 4.3 16.5 1.0 C5 A:8U4203 4.5 20.9 0.8 O B:HOH422 4.7 44.4 1.0 CD2 A:PHE116 5.0 14.5 1.0

N.M.Pearce, T.Krojer, A.R.Bradley, P.Collins, R.P.Nowak, R.Talon, B.D.Marsden, S.Kelm, J.Shi, C.M.Deane, F.Von Delft. A Multi-Crystal Method For Extracting Obscured Crystallographic States From Conventionally Uninterpretable Electron Density. Nat Commun V. 8 15123 2017.
ISSN: ESSN 2041-1723
PubMed: 28436492
DOI: 10.1038/NCOMMS15123