Zinc in PDB 4ijo: Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases

All present enzymatic activity of Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases:
3.4.24.65;

The structure of Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases, PDB code: 4ijo was solved by Y.Udi, M.Fragai, M.Grossman, S.Mitternacht, R.Arad-Yellin, V.Calderone, M.Melikian, M.Toccafondi, I.N.Berezovsky, C.Luchinat, I.Sagi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.60 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.435, 60.164, 53.777, 90.00, 114.80, 90.00
R / Rfree (%)	18.3 / 23.2

The structure of Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Zinc atom in the Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases (pdb code 4ijo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases, PDB code: 4ijo:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:4.5 occ:1.00 NE2 A:HIS218 2.0 8.2 1.0 NE2 A:HIS228 2.1 21.3 1.0 NE2 A:HIS222 2.1 14.2 1.0 O A:HOH501 2.1 15.0 1.0 O A:HOH443 2.3 28.7 1.0 CE1 A:HIS218 2.9 4.9 1.0 CE1 A:HIS228 3.0 17.0 1.0 CD2 A:HIS218 3.0 7.3 1.0 CD2 A:HIS222 3.0 8.4 1.0 CD2 A:HIS228 3.0 18.9 1.0 CE1 A:HIS222 3.1 16.4 1.0 ND1 A:HIS218 4.0 7.8 1.0 ND1 A:HIS228 4.1 16.4 1.0 CG A:HIS218 4.1 3.7 1.0 CG A:HIS228 4.2 18.9 1.0 ND1 A:HIS222 4.2 10.0 1.0 CG A:HIS222 4.2 14.2 1.0 O A:HOH418 4.3 18.1 1.0 OE1 A:GLU219 4.6 11.8 1.0 OE2 A:GLU219 4.8 12.3 1.0 O A:HOH464 4.9 29.7 1.0

Zinc binding site 2 out of 2 in the Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Unraveling Hidden Allosteric Regulatory Sites in Structurally Homologues Metalloproteases within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:5.1 occ:1.00 NE2 A:HIS168 2.0 9.1 1.0 NE2 A:HIS183 2.0 13.0 1.0 OD1 A:ASP170 2.1 12.5 0.7 ND1 A:HIS196 2.1 10.5 1.0 CD2 A:HIS168 2.8 17.6 1.0 CE1 A:HIS183 2.8 19.6 1.0 CG A:ASP170 2.9 12.4 0.7 OD2 A:ASP170 3.1 6.4 0.7 CE1 A:HIS196 3.1 16.8 1.0 CE1 A:HIS168 3.1 15.9 1.0 CG A:HIS196 3.1 13.9 1.0 CD2 A:HIS183 3.1 15.7 1.0 CB A:HIS196 3.4 10.8 1.0 ND1 A:HIS183 4.0 17.5 1.0 CG A:HIS168 4.0 17.5 1.0 O A:HIS172 4.1 17.7 1.0 ND1 A:HIS168 4.1 13.5 1.0 CG A:HIS183 4.2 15.4 1.0 NE2 A:HIS196 4.2 15.5 1.0 CD2 A:HIS196 4.2 13.8 1.0 CB A:ASP170 4.3 15.9 0.7 CE2 A:PHE185 4.3 19.8 1.0 CZ A:PHE185 4.5 21.9 1.0 CZ A:PHE174 4.5 10.6 1.0 CE1 A:PHE174 4.6 15.7 1.0 O A:HOH405 4.9 12.4 1.0 CB A:HIS172 4.9 20.3 1.0 CA A:HIS196 4.9 11.7 1.0

Y.Udi, M.Fragai, M.Grossman, S.Mitternacht, R.Arad-Yellin, V.Calderone, M.Melikian, M.Toccafondi, I.N.Berezovsky, C.Luchinat, I.Sagi. Unraveling Hidden Regulatory Sites in Structurally Homologous Metalloproteases J.Mol.Biol. V. 425 2330 2013.
ISSN: ISSN 0022-2836
PubMed: 23583775
DOI: 10.1016/J.JMB.2013.04.009