Zinc in PDB 5bqq: Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30

The structure of Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30, PDB code: 5bqq was solved by A.M.Brzozowski, J.P.Turkenburg, J.Jiracek, L.Zakova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.82 / 1.54
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	60.992, 60.992, 81.919, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 19.5

The structure of Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30 (pdb code 5bqq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30, PDB code: 5bqq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:9.5 occ:1.00 NE2 B:HIS10 2.0 9.8 1.0 NE2 F:HIS10 2.0 10.9 1.0 NE2 J:HIS10 2.1 10.2 1.0 CL B:CL102 2.2 10.6 1.0 CE1 B:HIS10 3.0 13.4 1.0 CE1 F:HIS10 3.0 14.3 1.0 CE1 J:HIS10 3.0 12.4 1.0 CD2 F:HIS10 3.0 10.3 1.0 CD2 J:HIS10 3.1 9.2 1.0 CD2 B:HIS10 3.1 9.7 1.0 ND1 B:HIS10 4.1 13.3 1.0 ND1 F:HIS10 4.1 13.2 1.0 O J:HOH235 4.1 40.9 1.0 ND1 J:HIS10 4.2 12.0 1.0 CG B:HIS10 4.2 9.5 1.0 CG F:HIS10 4.2 9.9 1.0 CG J:HIS10 4.2 9.3 1.0 O J:LEU6 4.7 10.7 1.0 O F:LEU6 4.8 12.1 1.0 CB J:LEU6 4.8 10.2 1.0 O B:LEU6 4.8 9.8 1.0 CB B:LEU6 4.8 9.8 1.0 CB F:LEU6 5.0 12.9 1.0

Zinc binding site 2 out of 2 in the Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Insulin with Intra-Chain Chemical Crosslink Between Modified B27 and B30 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn101 b:9.5 occ:1.00 NE2 L:HIS10 2.0 10.5 1.0 NE2 D:HIS10 2.1 10.1 1.0 NE2 H:HIS10 2.1 10.8 1.0 CL D:CL102 2.2 10.4 1.0 CE1 D:HIS10 3.0 13.6 1.0 CE1 L:HIS10 3.0 13.3 1.0 CD2 L:HIS10 3.0 10.2 1.0 CE1 H:HIS10 3.0 12.2 1.0 CD2 H:HIS10 3.0 8.6 1.0 CD2 D:HIS10 3.1 10.2 1.0 ND1 L:HIS10 4.1 12.1 1.0 ND1 D:HIS10 4.1 13.7 1.0 ND1 H:HIS10 4.2 11.9 1.0 CG L:HIS10 4.2 9.8 1.0 CG D:HIS10 4.2 9.7 1.0 CG H:HIS10 4.2 9.0 1.0 O H:LEU6 4.7 10.5 1.0 CB H:LEU6 4.7 10.3 1.0 O D:LEU6 4.8 10.0 1.0 O L:LEU6 4.8 11.2 1.0 CB D:LEU6 4.8 10.6 1.0 O L:HOH109 5.0 30.0 1.0 CB L:LEU6 5.0 12.0 1.0

J.Vikova, M.Collinsova, E.Kletvikova, M.Budesinsky, V.Kaplan, L.Zakova, V.Veverka, R.Hexnerova, R.J.Avino, J.Strakova, I.Selicharova, V.Vanek, D.W.Wright, C.J.Watson, J.P.Turkenburg, A.M.Brzozowski, J.Jiracek. Rational Steering of Insulin Binding Specificity By Intra-Chain Chemical Crosslinking. Sci Rep V. 6 19431 2016.
ISSN: ESSN 2045-2322
PubMed: 26792393
DOI: 10.1038/SREP19431