Chlorine in PDB 4a1u: Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl

The structure of Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl, PDB code: 4a1u was solved by M.D.Boersma, H.S.Haase, K.J.Kaufman, W.S.Horne, E.F.Lee, O.B.Clarke, B.J.Smith, P.M.Colman, S.H.Gellman, W.D.Fairlie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 1.54
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.706, 54.706, 119.168, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl (pdb code 4a1u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl, PDB code: 4a1u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1207 b:48.9 occ:1.00 H A:GLN26 2.4 22.4 1.0 N A:GLN26 3.2 18.7 1.0 O A:HOH2048 3.6 27.2 1.0 CA A:SER25 3.8 15.4 1.0 O A:HOH2042 3.9 28.6 0.5 CB A:SER25 3.9 15.4 1.0 CB A:GLN26 3.9 20.9 1.0 C A:SER25 4.0 14.3 1.0 CA A:GLN26 4.2 16.8 1.0 O A:HOH2049 4.5 35.8 1.0 O A:HOH2042 4.7 27.9 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Alpha-Beta-Foldamer 2C in Complex with Bcl-Xl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:67.4 occ:1.00 O A:HOH2082 2.3 53.7 0.6 NE A:ARG102 3.1 33.1 0.4 CD A:ARG102 3.8 33.4 0.4 NE A:ARG103 3.8 27.3 1.0 NH2 A:ARG103 4.1 39.0 1.0 CZ A:ARG102 4.1 28.6 0.4 NH2 A:ARG102 4.2 28.0 0.4 NE A:ARG102 4.3 31.5 0.6 CZ A:ARG103 4.4 34.9 1.0 CG A:ARG102 4.5 26.3 0.4 CG A:ARG103 4.5 26.1 1.0 CD A:ARG102 4.6 35.6 0.6 CD A:ARG103 4.8 29.8 1.0 CG A:ARG102 4.9 25.1 0.6

M.D.Boersma, H.S.Haase, K.J.Peterson-Kaufman, E.F.Lee, O.B.Clarke, P.M.Colman, B.J.Smith, W.S.Horne, W.D.Fairlie, S.H.Gellman. Evaluation of Diverse Alpha/Beta-Backbone Patterns For Functional Alpha-Helix Mimicry: Analogues of the Bim BH3 Domain. J.Am.Chem.Soc. V. 134 315 2012.
ISSN: ISSN 0002-7863
PubMed: 22040025
DOI: 10.1021/JA207148M