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

Protein crystallography data

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

Other elements in 3zs2:

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

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

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 3zs2

Go back to Chlorine Binding Sites List in 3zs2
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 3zs2

Go back to Chlorine Binding Sites List in 3zs2
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

Reference:

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
Page generated: Sat Dec 12 10:22:03 2020

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