Chlorine in PDB 4ziq: Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli.

The structure of Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli., PDB code: 4ziq was solved by I.Garcia-Ferrer, P.Arede, J.Gomez-Blanco, D.Luque, S.Duquerroy, J.R.Caston, T.Goulas, X.F.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.68 / 2.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	274.280, 95.360, 81.090, 90.00, 104.77, 90.00
R / Rfree (%)	19 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli. (pdb code 4ziq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli., PDB code: 4ziq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1702 b:74.8 occ:0.50 CA A:TYR1635 4.0 62.2 1.0 O A:MET1634 4.1 66.2 1.0 N A:TYR1635 4.1 61.2 1.0 C A:MET1634 4.1 65.0 1.0 NH2 A:ARG1487 4.2 69.2 1.0 CD1 A:TYR1635 4.2 71.8 1.0 NH1 A:ARG1487 4.3 68.6 1.0 CZ A:ARG1487 4.4 83.1 1.0 CB A:TYR1635 4.5 63.2 1.0 CB A:MET1634 4.6 62.4 1.0 CG A:TYR1635 4.9 68.4 1.0 CA A:MET1634 5.0 60.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1703 b:87.6 occ:0.50 O A:GLU594 3.2 76.7 1.0 CA A:GLY597 3.7 68.5 1.0 N A:GLY597 3.7 70.0 1.0 CD2 A:LEU593 3.9 69.5 1.0 O A:SER595 4.0 81.6 1.0 O A:HOH1824 4.1 67.9 1.0 C A:SER595 4.2 79.9 1.0 OG A:SER1526 4.2 75.3 1.0 CB A:LEU593 4.3 64.6 1.0 C A:GLU594 4.4 76.6 1.0 C A:GLY596 4.5 74.1 1.0 CG A:LEU593 4.5 67.9 1.0 CA A:SER595 4.6 76.3 1.0 N A:GLY596 4.7 73.8 1.0 C A:GLY597 4.9 71.4 1.0 N A:SER595 5.0 75.1 1.0 CB A:SER1526 5.0 67.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Trypsin Activated Alpha-2-Macroglobulin From Escherichia Coli. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1704 b:84.3 occ:0.50 NH1 A:ARG1436 3.3 0.5 1.0 CD1 A:TYR1200 4.1 54.1 1.0 CE1 A:TYR1200 4.1 52.5 1.0 NH2 A:ARG1263 4.1 96.2 1.0 CG A:TYR1200 4.2 52.6 1.0 CZ A:TYR1200 4.2 56.5 1.0 OE1 A:GLU1398 4.3 0.0 1.0 CD2 A:TYR1200 4.3 51.5 1.0 CE2 A:TYR1200 4.4 50.4 1.0 CZ A:ARG1436 4.4 0.7 1.0 NH2 A:ARG1436 4.6 0.9 1.0 CD2 A:LEU1433 4.7 64.6 1.0 OH A:TYR1200 4.8 59.6 1.0 CD1 A:LEU1433 4.9 62.7 1.0 CB A:LEU1433 4.9 60.3 1.0 CD A:GLU1398 5.0 0.3 1.0 CB A:TYR1200 5.0 55.6 1.0

I.Garcia-Ferrer, P.Arede, J.Gomez-Blanco, D.Luque, S.Duquerroy, J.R.Caston, T.Goulas, F.X.Gomis-Ruth. Structural and Functional Insights Into Escherichia Coli Alpha 2-Macroglobulin Endopeptidase Snap-Trap Inhibition. Proc.Natl.Acad.Sci.Usa V. 112 8290 2015.
ISSN: ESSN 1091-6490
PubMed: 26100869
DOI: 10.1073/PNAS.1506538112