Zinc in PDB 6px5: Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack

All present enzymatic activity of Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack:
3.4.21.5;

The structure of Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack, PDB code: 6px5 was solved by L.A.Pelc, S.K.Koester, Z.Chen, N.Gistover, E.Di Cera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.02 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.134, 100.134, 118.679, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 28.2

The structure of Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack (pdb code 6px5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack, PDB code: 6px5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack within 5.0Å range: probe atom residue distance (Å) B Occ X:Zn401 b:81.8 occ:1.00 OE1 X:GLU254 2.0 60.5 1.0 OD2 B:ASP178 2.0 89.7 1.0 OE1 X:GLU226 2.1 66.7 1.0 O X:HOH503 2.2 60.5 1.0 O X:HOH509 2.8 91.4 1.0 CD X:GLU254 2.9 62.4 1.0 CD X:GLU226 2.9 86.7 1.0 CG B:ASP178 2.9 80.9 1.0 OE2 X:GLU226 3.1 96.4 1.0 CG X:GLU254 3.2 61.5 1.0 OD1 B:ASP178 3.3 87.6 1.0 O X:VAL252 3.9 96.5 1.0 OE2 X:GLU254 4.0 66.0 1.0 CB X:GLU254 4.0 63.6 1.0 CB B:ASP178 4.3 73.0 1.0 N X:GLU254 4.3 64.8 1.0 CG X:GLU226 4.3 83.2 1.0 O B:HOH909 4.7 66.0 1.0 CB X:GLU226 4.8 81.3 1.0 CA X:GLU254 4.8 66.1 1.0 O X:HOH524 4.9 54.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Meizothrombin DESF1 Mutant S195A Bound with Ppack within 5.0Å range: probe atom residue distance (Å) B Occ X:Zn402 b:67.7 occ:0.50 NE2 X:HIS187 2.0 69.1 1.0 OE2 B:GLU97A 2.1 65.9 1.0 O B:HOH901 2.3 97.8 1.0 CD B:GLU97A 2.9 73.0 1.0 CE1 X:HIS187 2.9 64.2 1.0 OE1 B:GLU97A 2.9 65.2 1.0 CD2 X:HIS187 3.0 57.7 1.0 ND1 X:HIS187 4.0 60.8 1.0 CG X:HIS187 4.1 61.9 1.0 CG B:GLU97A 4.3 65.9 1.0 O B:ARG97 4.7 55.9 1.0

L.A.Pelc, S.K.Koester, Z.Chen, N.E.Gistover, E.Di Cera. Residues W215, E217 and E192 Control the Allosteric E*-E Equilibrium of Thrombin. Sci Rep V. 9 12304 2019.
ISSN: ESSN 2045-2322
PubMed: 31444378
DOI: 10.1038/S41598-019-48839-1