Zinc in PDB 6tc2: Monoclinic Human Insulin in Complex with P-Coumaric Acid

The structure of Monoclinic Human Insulin in Complex with P-Coumaric Acid, PDB code: 6tc2 was solved by D.-P.Triandafillidis, N.Parthenios, M.Spiliopoulou, A.Valmas, C.Kosinas, F.Gozzo, M.Reinle-Schmitt, D.Beckers, T.Degen, M.Pop, A.Fitch, J.Wollenhaupt, M.S.Weiss, F.Karavassili, I.Margiolaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.42 / 1.36
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.000, 67.650, 47.590, 90.00, 94.80, 90.00
R / Rfree (%)	16 / 18.8

The binding sites of Zinc atom in the Monoclinic Human Insulin in Complex with P-Coumaric Acid (pdb code 6tc2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Monoclinic Human Insulin in Complex with P-Coumaric Acid, PDB code: 6tc2:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Monoclinic Human Insulin in Complex with P-Coumaric Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Monoclinic Human Insulin in Complex with P-Coumaric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:18.8 occ:1.00 O3 B:PO4102 1.7 53.7 1.0 NE2 F:HIS10 2.0 15.7 1.0 NE2 J:HIS10 2.0 18.4 1.0 NE2 B:HIS10 2.0 17.9 1.0 P B:PO4102 2.7 62.5 1.0 O4 B:PO4102 2.8 65.7 1.0 CE1 F:HIS10 2.9 17.9 1.0 CE1 J:HIS10 2.9 28.2 1.0 CE1 B:HIS10 3.0 19.8 1.0 HE1 F:HIS10 3.0 21.5 1.0 HE1 J:HIS10 3.0 33.8 1.0 HE1 B:HIS10 3.1 23.7 1.0 CD2 F:HIS10 3.1 16.1 1.0 CD2 B:HIS10 3.1 17.3 1.0 CD2 J:HIS10 3.1 16.5 1.0 O2 B:PO4102 3.3 77.9 1.0 HD2 B:HIS10 3.3 20.8 1.0 HD2 F:HIS10 3.4 19.3 1.0 HD2 J:HIS10 3.4 19.8 1.0 O B:HOH208 3.9 51.6 1.0 O1 B:PO4102 4.0 69.3 1.0 ND1 F:HIS10 4.0 19.4 1.0 ND1 J:HIS10 4.1 25.2 1.0 ND1 B:HIS10 4.1 21.1 1.0 CG F:HIS10 4.2 17.1 1.0 O B:HOH201 4.2 50.9 1.0 CG J:HIS10 4.2 17.7 1.0 CG B:HIS10 4.2 17.2 1.0 O F:HOH107 4.5 32.2 1.0 O B:HOH203 4.6 48.7 1.0 O B:HOH217 4.7 51.2 1.0 HD1 F:HIS10 4.8 23.3 1.0 HD1 J:HIS10 4.8 30.2 1.0 HD1 B:HIS10 4.9 25.3 1.0

Zinc binding site 2 out of 2 in the Monoclinic Human Insulin in Complex with P-Coumaric Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Monoclinic Human Insulin in Complex with P-Coumaric Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn103 b:14.5 occ:1.00 HO2 D:HC4102 1.3 35.1 0.6 N D:SCN101 1.8 10.5 0.4 NE2 H:HIS10 2.0 15.5 1.0 NE2 D:HIS10 2.0 13.3 1.0 NE2 L:HIS10 2.0 13.3 1.0 O2 D:HC4102 2.2 29.3 0.6 O1 D:HC4102 2.8 23.4 0.6 C1 D:HC4102 2.9 16.8 0.6 CE1 H:HIS10 2.9 16.4 1.0 CE1 D:HIS10 3.0 17.6 1.0 CE1 L:HIS10 3.0 17.0 1.0 C D:SCN101 3.0 18.0 0.4 CD2 L:HIS10 3.0 13.3 1.0 CD2 D:HIS10 3.0 12.6 1.0 CD2 H:HIS10 3.1 13.6 1.0 HE1 H:HIS10 3.1 19.7 1.0 HE1 D:HIS10 3.1 21.1 1.0 HE1 L:HIS10 3.2 20.4 1.0 HD2 L:HIS10 3.2 15.9 1.0 HD2 D:HIS10 3.2 15.1 1.0 HD2 H:HIS10 3.3 16.2 1.0 HB3 D:LEU6 3.9 20.9 1.0 HB3 H:LEU6 3.9 21.2 1.0 HB3 L:LEU6 3.9 20.1 1.0 ND1 H:HIS10 4.1 18.4 1.0 ND1 D:HIS10 4.1 18.2 1.0 ND1 L:HIS10 4.1 18.4 1.0 CG H:HIS10 4.2 12.9 1.0 CG D:HIS10 4.2 13.5 1.0 CG L:HIS10 4.2 13.3 1.0 C2 D:HC4102 4.3 15.5 0.6 O L:LEU6 4.6 15.5 1.0 O H:LEU6 4.6 15.9 1.0 O D:LEU6 4.7 15.4 1.0 H2 D:HC4102 4.7 18.5 0.6 S D:SCN101 4.7 23.5 0.4 HD22 H:LEU6 4.8 25.4 1.0 HD1 H:HIS10 4.8 22.1 1.0 CB D:LEU6 4.9 17.4 1.0 HD1 D:HIS10 4.9 21.8 1.0 CB L:LEU6 4.9 16.8 1.0 CB H:LEU6 4.9 17.7 1.0 HD22 D:LEU6 4.9 25.4 1.0 HD1 L:HIS10 4.9 22.1 1.0 HD13 D:LEU6 5.0 29.6 1.0 OG D:SER9 5.0 15.1 0.3 HG D:SER9 5.0 18.0 0.3

D.P.Triandafillidis, N.Parthenios, M.Spiliopoulou, A.Valmas, C.Kosinas, F.Gozzo, M.Reinle-Schmitt, D.Beckers, T.Degen, M.Pop, A.N.Fitch, J.Wollenhaupt, M.S.Weiss, F.Karavassili, I.Margiolaki. Insulin Polymorphism Induced By Two Polyphenols: New Crystal Forms and Advances in Macromolecular Powder Diffraction. Acta Crystallogr D Struct V. 76 1065 2020BIOL.
ISSN: ISSN 2059-7983
PubMed: 33135678
DOI: 10.1107/S205979832001195X