Zinc in PDB 5ncw: Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant).

The structure of Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant)., PDB code: 5ncw was solved by T.Goulas, M.Ksiazek, I.Garcia-Ferrer, D.Mizgalska, J.Potempa, X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.75 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.600, 74.280, 84.380, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 18.3

The structure of Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant). also contains other interesting chemical elements:

Potassium	(K)	1 atom
Iodine	(I)	4 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Zinc atom in the Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant). (pdb code 5ncw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant)., PDB code: 5ncw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant). within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:23.0 occ:0.31 ND1 A:HIS70 1.9 24.6 1.0 ND1 A:HIS110 2.3 20.2 1.0 O A:HOH904 2.6 34.8 1.0 CG A:HIS70 2.9 20.6 1.0 CE1 A:HIS70 2.9 24.4 1.0 CE1 A:HIS110 3.0 19.9 1.0 CB A:HIS70 3.3 16.1 1.0 CG A:HIS110 3.6 16.6 1.0 NE2 A:HIS70 4.0 24.1 1.0 CD2 A:HIS70 4.0 24.4 1.0 CA A:HIS110 4.1 12.4 1.0 CB A:HIS110 4.1 13.4 1.0 NE2 A:HIS110 4.2 19.0 1.0 O A:THR109 4.4 16.9 1.0 CG2 A:THR109 4.4 17.1 1.0 CG A:GLU67 4.5 33.3 1.0 CD2 A:HIS110 4.5 18.5 1.0 CA A:GLU67 4.6 15.7 1.0 O A:HOH915 4.6 37.9 1.0 N A:HIS110 4.7 12.8 1.0 O A:ASN66 4.7 14.9 1.0 C A:THR109 4.8 15.3 1.0 CA A:HIS70 4.8 13.6 1.0

Zinc binding site 2 out of 2 in the Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Trypsin Induced Serpin-Type Proteinase Inhibitor, Miropin (V367K/K368A Mutant). within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:21.6 occ:0.46 O A:HOH615 1.8 29.6 1.0 O A:HOH897 2.0 28.2 1.0 O A:HOH922 2.2 34.4 1.0 O A:HOH688 3.6 25.9 1.0 O A:HOH907 3.6 42.0 1.0 O B:HOH607 3.6 20.3 1.0 CG B:PRO384 3.8 18.5 1.0 CB B:PRO384 3.9 15.7 1.0 O A:HOH830 3.9 22.6 1.0 CD B:PRO384 4.1 16.2 1.0 N A:THR232 4.1 18.6 1.0 OG1 A:THR232 4.2 20.8 1.0 CA A:THR231 4.2 20.4 1.0 O A:HOH865 4.3 31.2 1.0 CB A:THR231 4.4 26.7 1.0 O A:HOH827 4.4 24.5 1.0 CG2 A:THR231 4.6 25.1 1.0 O A:GLN230 4.7 24.0 1.0 C A:THR231 4.7 20.0 1.0 CA A:ALA183 4.7 15.6 1.0 CG2 A:THR232 4.9 19.0 1.0 CB A:THR232 5.0 17.7 1.0

T.Goulas, M.Ksiazek, I.Garcia-Ferrer, A.M.Sochaj-Gregorczyk, I.Waligorska, M.Wasylewski, J.Potempa, F.X.Gomis-Ruth. A Structure-Derived Snap-Trap Mechanism of A Multispecific Serpin From the Dysbiotic Human Oral Microbiome. J. Biol. Chem. V. 292 10883 2017.
ISSN: ESSN 1083-351X
PubMed: 28512127
DOI: 10.1074/JBC.M117.786533