Zinc in PDB 3kq6: Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog

The structure of Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog, PDB code: 3kq6 was solved by Z.L.Wan, S.Q.Hu, L.Whittaker, N.B.Phillips, J.Whittake, F.Ismail-Beigi, M.A.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.05 / 1.90
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	78.091, 78.091, 36.399, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 25.7

The structure of Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog (pdb code 3kq6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog, PDB code: 3kq6:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:34.5 occ:0.91 ND1 A:HIS4 2.1 51.7 1.0 ND1 A:HIS8 2.1 46.0 1.0 CL A:CL302 2.3 39.4 0.9 CE1 A:HIS8 2.8 47.5 1.0 CE1 A:HIS4 2.9 52.7 1.0 CG A:HIS4 3.2 50.2 1.0 CG A:HIS8 3.3 45.2 1.0 CB A:HIS4 3.6 46.9 1.0 CB A:HIS8 3.8 44.2 1.0 NE2 A:HIS8 4.0 47.9 1.0 NE2 A:HIS4 4.1 53.5 1.0 CA A:HIS4 4.2 44.9 1.0 CD2 A:HIS4 4.3 51.9 1.0 CD2 A:HIS8 4.3 46.9 1.0

Zinc binding site 2 out of 3 in the Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:17.8 occ:0.33 NE2 B:HIS10 2.1 35.1 1.0 CD2 B:HIS10 3.0 34.6 1.0 CE1 B:HIS10 3.1 36.5 1.0 ND1 B:HIS10 4.2 35.1 1.0 CG B:HIS10 4.2 34.7 1.0

Zinc binding site 3 out of 3 in the Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Enhancing the Therapeutic Properties of A Protein By A Designed Zinc- Binding Site, Structural Principles of A Novel Long-Acting Insulin Analog within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:9.2 occ:0.33 NE2 D:HIS10 2.0 25.3 1.0 CL D:CL202 2.2 15.2 0.3 CE1 D:HIS10 3.0 30.0 1.0 CD2 D:HIS10 3.1 22.2 1.0 ND1 D:HIS10 4.1 28.7 1.0 CG D:HIS10 4.2 25.9 1.0 CB D:LEU6 4.8 34.2 1.0 O D:LEU6 4.8 32.9 1.0

N.B.Phillips, Z.L.Wan, L.Whittaker, S.Q.Hu, K.Huang, Q.X.Hua, J.Whittaker, F.Ismail-Beigi, M.A.Weiss. Supramolecular Protein Engineering: Design of Zinc-Stapled Insulin Hexamers As A Long Acting Depot. J.Biol.Chem. V. 285 11755 2010.
ISSN: ISSN 0021-9258
PubMed: 20181952
DOI: 10.1074/JBC.C110.105825