Magnesium in PDB 8vis: Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide

The structure of Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide, PDB code: 8vis was solved by B.J.Fraser, A.Dong, O.Ilyassov, T.Kenney, Y.Y.Li, A.Seitova, Y.Li, Z.Hejazi, A.Edwards, F.Benard, C.Arrowsmith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.77 / 1.59
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	119.676, 119.676, 134.289, 90, 90, 90
R / Rfree (%)	15.5 / 18.7

The binding sites of Magnesium atom in the Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide (pdb code 8vis). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide, PDB code: 8vis:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg500 b:11.6 occ:1.00 O A:THR181 2.0 11.0 1.0 O A:HOH619 2.1 11.2 1.0 O A:HOH611 2.1 9.7 1.0 OG1 A:THR181 2.1 10.4 1.0 O B:HOH665 2.1 11.8 1.0 O B:HOH654 2.1 13.6 1.0 C A:THR181 3.1 11.8 1.0 CB A:THR181 3.1 11.1 1.0 CA A:THR181 3.5 11.9 1.0 OE1 B:GLU375 4.0 11.6 1.0 OD1 A:ASP183 4.0 12.7 1.0 N A:THR181 4.1 14.5 1.0 O B:HOH823 4.1 22.3 1.0 O B:HOH765 4.1 29.1 1.0 OE2 B:GLU375 4.1 15.5 1.0 O B:GLU375 4.2 12.4 1.0 O A:HOH623 4.2 40.2 1.0 N A:ASP182 4.2 12.8 1.0 O B:THR305 4.3 9.6 1.0 CD B:GLU375 4.3 13.0 1.0 CG2 A:THR181 4.4 10.5 1.0 O A:HOH612 4.4 19.2 1.0 OG1 B:THR305 4.4 13.8 1.0 CG A:ASP183 4.6 13.9 1.0 OD2 A:ASP183 4.7 18.5 1.0 O A:HOH617 4.7 28.3 1.0 CA A:ASP182 4.7 13.4 1.0

Magnesium binding site 2 out of 3 in the Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg500 b:12.3 occ:1.00 OG1 E:THR181 2.0 10.1 1.0 O E:HOH615 2.0 9.6 1.0 O F:HOH732 2.1 12.0 1.0 O E:THR181 2.1 11.6 1.0 O E:HOH625 2.1 12.7 1.0 O F:HOH654 2.1 14.4 1.0 CB E:THR181 3.0 11.5 1.0 C E:THR181 3.1 11.5 1.0 CA E:THR181 3.5 11.9 1.0 OD1 E:ASP183 4.0 12.2 1.0 OE1 F:GLU375 4.0 13.5 1.0 N E:THR181 4.0 13.6 1.0 O F:HOH830 4.1 21.0 1.0 OE2 F:GLU375 4.1 15.9 1.0 O F:THR305 4.2 9.7 1.0 O F:HOH787 4.2 27.4 1.0 O E:HOH626 4.2 34.6 1.0 O E:HOH607 4.3 18.6 1.0 N E:ASP182 4.3 12.8 1.0 CG2 E:THR181 4.3 11.2 1.0 O F:GLU375 4.3 12.9 1.0 OG1 F:THR305 4.3 14.1 1.0 CD F:GLU375 4.4 13.7 1.0 CG E:ASP183 4.7 13.2 1.0 OD2 E:ASP183 4.7 17.2 1.0 CA E:ASP182 4.8 13.8 1.0

Magnesium binding site 3 out of 3 in the Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg500 b:13.1 occ:1.00 O H:HOH821 2.1 14.0 1.0 O H:HOH699 2.1 12.9 1.0 O H:HOH643 2.1 12.1 1.0 O H:HOH660 3.9 21.1 1.0 O H:ASN299 4.1 16.9 1.0 O H:GLU375 4.3 10.8 1.0 O H:HOH720 4.3 13.8 1.0 OE1 H:GLN374 4.3 9.9 1.0 O H:HOH788 4.6 10.4 1.0 O H:HOH774 4.6 22.0 1.0 CD H:PRO301 4.7 13.1 1.0 CZ H:PHE382 4.7 16.1 1.0 CD H:GLN374 4.8 9.8 1.0 NE2 H:GLN374 4.9 9.8 1.0 CA H:ASP376 5.0 12.2 1.0

B.J.Fraser, A.Dong, O.Ilyassov, T.Kenney, Y.Y.Li, A.Seitova, Y.Li, Z.Hejazi, A.Edwards, F.Benard, C.Arrowsmith. Human TMPRSS11D Complexed with A Disulfide-Linked Autoinhibitory Ddddk Peptide To Be Published.