Calcium in PDB 2e2d: Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2

The structure of Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2, PDB code: 2e2d was solved by K.Maskos, R.Lang, H.Tschesche, W.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.77 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	72.526, 72.526, 181.375, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 23.1

The structure of Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2 (pdb code 2e2d). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2, PDB code: 2e2d:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:25.6 occ:1.00 OD2 A:ASP202 2.2 29.7 1.0 OE2 A:GLU205 2.2 31.9 1.0 O A:SER182 2.3 30.0 1.0 O A:GLY180 2.3 32.8 1.0 OD1 A:ASP179 2.3 28.7 1.0 O A:LEU184 2.3 100.0 1.0 CG A:ASP202 3.3 26.4 1.0 C A:SER182 3.4 29.6 1.0 CD A:GLU205 3.5 30.1 1.0 CG A:ASP179 3.5 28.6 1.0 C A:LEU184 3.5 100.0 1.0 C A:GLY180 3.5 33.5 1.0 N A:LEU184 3.8 100.0 1.0 N A:SER182 3.8 30.9 1.0 OD2 A:ASP179 3.9 29.9 1.0 C A:PRO181 4.0 31.9 1.0 CB A:ASP202 4.1 28.1 1.0 N A:GLY180 4.1 32.6 1.0 CA A:LEU184 4.2 100.0 1.0 C A:GLY183 4.2 28.9 1.0 OD1 A:ASP202 4.2 25.9 1.0 CA A:SER182 4.2 31.1 1.0 OE1 A:GLU205 4.3 33.1 1.0 N A:ASP179 4.3 31.3 1.0 C A:ASP179 4.3 32.2 1.0 CA A:PRO181 4.4 33.1 1.0 O A:PRO181 4.4 31.7 1.0 CG A:GLU205 4.4 29.9 1.0 N A:PRO181 4.4 33.4 1.0 N A:GLY183 4.4 28.8 1.0 CA A:GLY180 4.4 33.4 1.0 N A:LEU185 4.5 26.7 1.0 CB A:LEU184 4.5 100.0 1.0 O A:HOH565 4.6 48.9 1.0 CA A:GLY183 4.6 29.4 1.0 CB A:ASP179 4.7 31.0 1.0 CA A:ASP179 4.7 30.9 1.0 CA A:LEU185 4.8 25.8 1.0 O A:GLY183 4.8 29.5 1.0 O A:ASP179 4.8 33.2 1.0

Calcium binding site 2 out of 2 in the Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:32.3 occ:1.00 O A:ASP162 2.2 30.5 1.0 O A:GLY196 2.3 27.0 1.0 O A:ASN194 2.4 27.9 1.0 O A:HOH537 2.4 23.5 1.0 O A:HOH551 2.4 24.3 1.0 OD1 A:ASP198 2.4 26.2 1.0 C A:ASP162 3.4 29.9 1.0 CG A:ASP198 3.4 27.2 1.0 C A:GLY196 3.5 26.9 1.0 C A:ASN194 3.6 29.0 1.0 OD2 A:ASP198 3.8 27.3 1.0 C A:TYR195 3.9 28.0 1.0 O A:TYR195 4.0 28.2 1.0 N A:GLY196 4.0 27.4 1.0 N A:ASP198 4.2 25.0 1.0 CA A:ASP162 4.2 30.9 1.0 CA A:GLY196 4.3 27.5 1.0 O A:ALA161 4.4 34.5 1.0 N A:ILE163 4.4 29.5 1.0 O A:GLY192 4.4 29.9 1.0 N A:MET164 4.4 29.0 1.0 N A:GLY197 4.5 26.2 1.0 CA A:TYR195 4.5 28.0 1.0 CA A:ASN194 4.5 29.8 1.0 N A:TYR195 4.5 28.8 1.0 CA A:ILE163 4.5 28.9 1.0 O A:HOH504 4.5 36.8 1.0 CG A:MET164 4.5 31.8 1.0 C A:GLY197 4.6 24.9 1.0 CB A:ASP198 4.6 24.7 1.0 CA A:GLY197 4.6 25.9 1.0 O A:HOH553 4.6 34.7 1.0 N A:ASN194 4.6 29.7 1.0 O A:PRO193 4.7 29.6 1.0 C A:PRO193 4.7 30.2 1.0 CA A:ASP198 4.7 25.1 1.0

K.Maskos, R.Lang, H.Tschesche, W.Bode. Flexibility and Variability of Timp Binding: X-Ray Structure of the Complex Between Collagenase-3/Mmp-13 and Timp-2 J.Mol.Biol. V. 366 1222 2007.
ISSN: ISSN 0022-2836
PubMed: 17196980
DOI: 10.1016/J.JMB.2006.11.072