Chlorine in PDB 3zqr: NMEPHEB25 Insulin Analogue Crystal Structure

The structure of NMEPHEB25 Insulin Analogue Crystal Structure, PDB code: 3zqr 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)	54.29 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.600, 61.837, 58.224, 90.00, 111.19, 90.00
R / Rfree (%)	22.3 / 28.1

The structure of NMEPHEB25 Insulin Analogue Crystal Structure also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the NMEPHEB25 Insulin Analogue Crystal Structure (pdb code 3zqr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the NMEPHEB25 Insulin Analogue Crystal Structure, PDB code: 3zqr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the NMEPHEB25 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 NMEPHEB25 Insulin Analogue Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1031 b:25.4 occ:1.00 ZN B:ZN1030 2.2 22.7 1.0 NE2 F:HIS10 3.5 23.3 1.0 NE2 J:HIS10 3.5 23.7 1.0 NE2 B:HIS10 3.5 18.4 1.0 CB F:LEU6 3.9 28.9 1.0 CD2 F:HIS10 4.0 21.1 1.0 CD2 B:HIS10 4.0 23.6 1.0 CB B:LEU6 4.0 25.1 1.0 CD2 J:HIS10 4.0 21.3 1.0 CB J:LEU6 4.1 23.4 1.0 CD1 J:LEU6 4.1 26.8 1.0 CD1 B:LEU6 4.2 25.1 1.0 CD1 F:LEU6 4.2 28.6 1.0 CG F:LEU6 4.5 24.5 1.0 CG J:LEU6 4.6 25.2 1.0 CE1 J:HIS10 4.6 26.3 1.0 CE1 F:HIS10 4.6 23.5 1.0 CE1 B:HIS10 4.6 25.2 1.0 CG B:LEU6 4.7 25.9 1.0 O F:LEU6 4.8 23.6 1.0 O B:LEU6 4.8 27.3 1.0 CD2 F:LEU6 4.9 29.2 1.0 C F:LEU6 4.9 26.7 1.0 CA F:LEU6 4.9 30.9 1.0 C B:LEU6 4.9 26.0 1.0 CD2 J:LEU6 5.0 24.8 1.0 O J:LEU6 5.0 23.5 1.0

Chlorine binding site 2 out of 2 in the NMEPHEB25 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 NMEPHEB25 Insulin Analogue Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1030 b:31.5 occ:1.00 ZN D:ZN1029 2.2 26.4 1.0 NE2 L:HIS10 3.4 26.5 1.0 NE2 H:HIS10 3.5 29.3 1.0 NE2 D:HIS10 3.5 26.3 1.0 CB L:LEU6 3.8 25.8 1.0 CB H:LEU6 3.8 33.3 1.0 CD2 D:HIS10 3.9 24.8 1.0 CD2 H:HIS10 3.9 27.9 1.0 CD1 H:LEU6 3.9 42.5 1.0 CB D:LEU6 4.0 24.0 1.0 CD2 L:HIS10 4.0 28.9 1.0 CG D:LEU6 4.0 30.4 1.0 CD1 L:LEU6 4.0 25.4 1.0 CD2 D:LEU6 4.2 27.8 1.0 CG H:LEU6 4.3 34.3 1.0 CG L:LEU6 4.5 28.7 1.0 CE1 L:HIS10 4.5 30.2 1.0 CE1 H:HIS10 4.6 30.0 1.0 CE1 D:HIS10 4.6 26.4 1.0 CA H:LEU6 4.8 29.3 1.0 C L:LEU6 4.8 30.3 1.0 CA L:LEU6 4.9 23.9 1.0 CD2 H:LEU6 4.9 39.7 1.0 O H:LEU6 4.9 26.1 1.0 O D:LEU6 4.9 28.5 1.0 C H:LEU6 4.9 25.3 1.0 O L:LEU6 4.9 28.1 1.0 C D:LEU6 5.0 26.6 1.0 CA D:LEU6 5.0 25.4 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