Chlorine in PDB 3zs2: TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure

The structure of TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure, PDB code: 3zs2 was solved by E.Antolikova, L.Zakova, J.P.Turkenburg, C.J.Watson, I.Hanclova, M.Sanda, A.Cooper, T.Kraus, A.M.Brzozowski, J.A.Jiracek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.68 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.660, 62.170, 46.678, 90.00, 111.32, 90.00
R / Rfree (%)	19.3 / 25.2

The structure of TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure (pdb code 3zs2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure, PDB code: 3zs2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1028 b:27.9 occ:1.00 ZN B:ZN1030 2.0 25.4 1.0 NE2 F:HIS10 2.7 23.6 1.0 CD2 F:HIS10 3.2 23.6 1.0 O B:HOH2003 3.3 51.2 1.0 CB B:LEU6 3.5 25.0 1.0 NE2 J:HIS10 3.6 25.7 1.0 NE2 B:HIS10 3.6 25.0 1.0 CE1 F:HIS10 3.7 29.6 1.0 CG F:HIS10 4.1 26.2 1.0 CD1 J:LEU6 4.1 32.6 1.0 CD2 B:HIS10 4.3 27.1 1.0 ND1 F:HIS10 4.4 25.2 1.0 CD2 J:HIS10 4.5 24.8 1.0 C B:LEU6 4.5 27.0 1.0 CA B:LEU6 4.5 27.1 1.0 CD2 J:LEU6 4.5 34.7 1.0 CD1 F:LEU6 4.5 34.0 1.0 CB J:LEU6 4.6 27.4 1.0 CG J:LEU6 4.6 32.4 1.0 CE1 J:HIS10 4.6 24.1 1.0 CB F:LEU6 4.6 28.8 1.0 CD1 B:LEU6 4.7 27.4 1.0 CG B:LEU6 4.8 32.0 1.0 O B:LEU6 4.8 24.3 1.0 N B:CYS7 4.8 22.8 1.0 CE1 B:HIS10 4.8 30.9 1.0 O B:ASN3 4.9 22.9 1.0

Chlorine binding site 2 out of 2 in the TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of TYRB25,NMEPHEB26,LYSB28,PROB29-Insulin Analogue Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1028 b:25.7 occ:1.00 ZN D:ZN1030 1.9 23.2 1.0 NE2 D:HIS10 2.8 19.8 1.0 CD2 D:HIS10 3.2 19.1 1.0 CB H:LEU6 3.2 25.1 1.0 NE2 H:HIS10 3.4 26.5 1.0 NE2 L:HIS10 3.5 21.6 1.0 CD1 H:LEU6 3.7 29.9 1.0 CD1 L:LEU6 3.9 25.8 1.0 CG H:LEU6 3.9 26.7 1.0 CE1 D:HIS10 4.1 20.4 1.0 CD2 H:HIS10 4.3 25.1 1.0 CG D:HIS10 4.3 20.6 1.0 CA H:LEU6 4.3 25.0 1.0 CD2 L:HIS10 4.4 23.1 1.0 CB L:LEU6 4.4 24.6 1.0 CE1 H:HIS10 4.4 27.3 1.0 CE1 L:HIS10 4.6 23.0 1.0 CG L:LEU6 4.7 27.1 1.0 C H:LEU6 4.8 25.6 1.0 ND1 D:HIS10 4.8 23.4 1.0 O D:LEU6 4.8 27.1 1.0 CD2 H:LEU6 4.8 25.8 1.0 CD2 L:LEU6 4.9 23.7 1.0 CB D:LEU6 4.9 27.7 1.0

E.Antolikova, L.Zakova, J.P.Turkenburg, C.J.Watson, I.Hanclova, M.Sanda, A.Cooper, T.Kraus, A.M.Brzozowski, J.A.Jiracek. Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface. J.Biol.Chem. V. 286 36968 2011.
ISSN: ISSN 0021-9258
PubMed: 21880708
DOI: 10.1074/JBC.M111.265249