Calcium in PDB 1bqq: Crystal Structure of the MT1-Mmp--Timp-2 Complex

The structure of Crystal Structure of the MT1-Mmp--Timp-2 Complex, PDB code: 1bqq was solved by C.Fernandez-Catalan, W.Bode, R.Huber, D.Turk, J.J.Calvete, A.Lichte, H.Tschesche, K.Maskos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.650, 40.100, 85.680, 90.00, 102.30, 90.00
R / Rfree (%)	18.9 / 24.8

The structure of Crystal Structure of the MT1-Mmp--Timp-2 Complex also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of the MT1-Mmp--Timp-2 Complex (pdb code 1bqq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the MT1-Mmp--Timp-2 Complex, PDB code: 1bqq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the MT1-Mmp--Timp-2 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the MT1-Mmp--Timp-2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ M:Ca288 b:17.7 occ:1.00 O M:ASN208 2.5 20.0 1.0 O M:GLY210 2.7 15.1 1.0 OD1 M:ASP212 3.3 9.0 1.0 O M:ASP176 3.4 25.6 1.0 C M:GLY210 3.5 19.6 1.0 C M:ASN208 3.7 20.0 1.0 C M:ASP176 3.8 26.9 1.0 O M:GLY206 4.0 15.7 1.0 N M:GLY210 4.0 15.8 1.0 N M:ILE177 4.2 21.6 1.0 CA M:ASP176 4.2 27.7 1.0 CA M:GLY210 4.2 18.6 1.0 C M:ILE209 4.3 18.2 1.0 N M:GLY211 4.3 19.5 1.0 CA M:ILE177 4.4 18.0 1.0 N M:ASP212 4.4 7.1 1.0 CG M:ASP212 4.5 15.1 1.0 CA M:GLY211 4.5 15.7 1.0 CH2 M:TRP119 4.5 16.6 1.0 N M:ASN208 4.5 20.0 1.0 CA M:ASN208 4.5 20.0 1.0 N M:ILE209 4.6 15.1 1.0 C M:GLY211 4.6 13.9 1.0 OH T:TYR1036 4.6 27.8 1.0 CA M:ILE209 4.7 17.3 1.0 N M:ASP176 4.7 27.8 1.0 O M:ILE209 4.8 19.1 1.0 C M:PRO207 4.9 13.7 1.0 CE2 T:TYR1036 4.9 25.6 1.0 OD1 M:ASP176 4.9 34.3 1.0 CZ2 M:TRP119 4.9 18.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the MT1-Mmp--Timp-2 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the MT1-Mmp--Timp-2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ M:Ca291 b:18.1 occ:1.00 OD2 M:ASP216 2.2 26.6 1.0 O M:GLY196 2.4 16.5 1.0 O M:GLY194 2.5 16.9 1.0 OE2 M:GLU219 2.5 21.4 1.0 O M:PHE198 2.7 68.9 1.0 OD1 M:ASP193 2.8 14.6 1.0 CG M:ASP216 3.4 29.0 1.0 C M:GLY196 3.6 18.4 1.0 C M:GLY194 3.6 14.2 1.0 N M:GLY194 3.7 11.2 1.0 C M:PHE198 3.7 35.9 1.0 CD M:GLU219 3.7 34.3 1.0 CG M:ASP193 4.0 13.2 1.0 N M:ASP193 4.0 13.1 1.0 N M:GLY196 4.0 20.3 1.0 CB M:ASP216 4.2 28.1 1.0 C M:ASP193 4.2 11.2 1.0 CA M:GLY194 4.2 12.8 1.0 OD1 M:ASP216 4.3 25.5 1.0 N M:PHE198 4.3 22.6 1.0 CA M:LEU199 4.4 19.4 1.0 C M:GLY197 4.4 24.2 1.0 N M:LEU199 4.4 23.8 1.0 CA M:ASP193 4.4 4.1 1.0 CA M:GLY196 4.5 15.0 1.0 OE1 M:GLU219 4.5 22.7 1.0 N M:GLY197 4.6 18.4 1.0 CG M:GLU219 4.7 83.9 1.0 CA M:PHE198 4.7 24.3 1.0 CA M:GLY197 4.7 22.6 1.0 O M:GLY197 4.7 23.9 1.0 N M:GLU195 4.7 16.6 1.0 CB M:ASP193 4.8 8.1 1.0 OD2 M:ASP193 4.8 23.1 1.0 C M:GLU195 4.8 21.4 1.0 CB M:PHE192 5.0 14.9 1.0

C.Fernandez-Catalan, W.Bode, R.Huber, D.Turk, J.J.Calvete, A.Lichte, H.Tschesche, K.Maskos. Crystal Structure of the Complex Formed By the Membrane Type 1-Matrix Metalloproteinase with the Tissue Inhibitor of Metalloproteinases-2, the Soluble Progelatinase A Receptor. Embo J. V. 17 5238 1998.
ISSN: ISSN 0261-4189
PubMed: 9724659
DOI: 10.1093/EMBOJ/17.17.5238