Chlorine in PDB 3jsq: Crystal Structure of Adipocyte Fatty Acid Binding Protein Non- Covalently Modified with 4-Hydroxy-2-Nonenal

The structure of Crystal Structure of Adipocyte Fatty Acid Binding Protein Non- Covalently Modified with 4-Hydroxy-2-Nonenal, PDB code: 3jsq was solved by K.Hellberg, P.A.Grimsrud, A.C.Kruse, L.J.Banaszak, D.H.Ohlendorf, D.A.Bernlohr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	77.583, 93.174, 49.137, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.3

The binding sites of Chlorine atom in the Crystal Structure of Adipocyte Fatty Acid Binding Protein Non- Covalently Modified with 4-Hydroxy-2-Nonenal (pdb code 3jsq). 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 Crystal Structure of Adipocyte Fatty Acid Binding Protein Non- Covalently Modified with 4-Hydroxy-2-Nonenal, PDB code: 3jsq:

Chlorine binding site 1 out of 1 in the Crystal Structure of Adipocyte Fatty Acid Binding Protein Non- Covalently Modified with 4-Hydroxy-2-Nonenal


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 Adipocyte Fatty Acid Binding Protein Non- Covalently Modified with 4-Hydroxy-2-Nonenal within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl200 b:30.0 occ:0.50 NH2 A:ARG108 3.2 36.5 1.0 CA A:ASP111 3.8 34.8 1.0 NE A:ARG130 3.8 35.9 1.0 NH1 A:ARG108 3.9 36.2 1.0 CZ A:ARG108 4.0 36.0 1.0 O A:HOH187 4.1 29.7 0.5 O A:GLY110 4.2 37.9 1.0 CB A:ASP111 4.3 35.7 1.0 NH2 A:ARG130 4.5 37.2 1.0 C A:ASP111 4.5 33.9 1.0 O A:ASP111 4.5 33.1 1.0 CZ A:ARG130 4.6 36.2 1.0 CD A:ARG130 4.7 37.8 1.0 N A:ASP111 4.7 35.8 1.0 C A:GLY110 4.8 37.0 1.0

K.Hellberg, P.A.Grimsrud, A.C.Kruse, L.J.Banaszak, D.H.Ohlendorf, D.A.Bernlohr. X-Ray Crystallographic Analysis of Adipocyte Fatty Acid Binding Protein (AP2) Modified with 4-Hydroxy-2-Nonenal. Protein Sci. V. 19 1480 2010.
ISSN: ISSN 0961-8368
PubMed: 20509169
DOI: 10.1002/PRO.427