Zinc 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:

Calcium

(Ca)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the MT1-Mmp--Timp-2 Complex, PDB code: 1bqq:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn289 b:27.9 occ:1.00 NE2 M:HIS249 1.8 23.7 1.0 O T:CYS1001 2.0 12.9 1.0 NE2 M:HIS243 2.2 31.0 1.0 NE2 M:HIS239 2.4 14.5 1.0 CE1 M:HIS249 2.8 16.1 1.0 CD2 M:HIS249 2.8 21.0 1.0 N T:CYS1001 2.9 17.5 1.0 C T:CYS1001 2.9 13.8 1.0 CD2 M:HIS243 3.1 18.2 1.0 CE1 M:HIS243 3.3 18.6 1.0 CD2 M:HIS239 3.3 11.4 1.0 CA T:CYS1001 3.3 12.7 1.0 CE1 M:HIS239 3.4 14.1 1.0 CB T:CYS1001 3.8 13.2 1.0 OE2 M:GLU240 3.9 9.3 1.0 ND1 M:HIS249 3.9 19.9 1.0 CG M:HIS249 3.9 19.4 1.0 N T:SER1002 4.1 11.2 1.0 CG M:HIS243 4.3 16.9 1.0 ND1 M:HIS243 4.3 21.5 1.0 ND1 M:HIS239 4.5 14.1 1.0 CG M:HIS239 4.5 11.2 1.0 O T:ALA1070 4.6 17.7 1.0 O M:MET257 4.7 17.7 1.0 CA T:SER1002 4.7 13.1 1.0 CA M:PRO259 4.7 17.4 1.0 CD M:GLU240 4.8 4.7 1.0 CE M:MET257 4.8 14.9 1.0 CA T:ALA1070 5.0 14.2 1.0 CB M:PRO259 5.0 13.6 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn290 b:21.2 occ:1.00 NE2 M:HIS186 1.8 15.3 1.0 OD2 M:ASP188 2.1 37.9 1.0 NE2 M:HIS201 2.2 16.6 1.0 CE1 M:HIS201 2.5 14.0 1.0 CE1 M:HIS186 2.6 22.0 1.0 ND1 M:HIS214 2.6 8.3 1.0 CG M:ASP188 2.9 36.1 1.0 CD2 M:HIS186 2.9 14.3 1.0 OD1 M:ASP188 3.0 30.9 1.0 CG M:HIS214 3.4 12.7 1.0 CD2 M:HIS201 3.5 20.9 1.0 CE1 M:HIS214 3.6 8.3 1.0 CB M:HIS214 3.6 14.9 1.0 ND1 M:HIS201 3.7 16.8 1.0 ND1 M:HIS186 3.7 20.8 1.0 CG M:HIS186 3.9 20.1 1.0 CG M:HIS201 4.2 18.8 1.0 CE2 M:TYR203 4.3 26.1 1.0 CB M:ASP188 4.3 31.3 1.0 CD2 M:HIS214 4.5 12.6 1.0 O M:THR190 4.6 12.4 1.0 CZ M:PHE192 4.6 30.8 1.0 NE2 M:HIS214 4.6 18.7 1.0 OG1 M:THR190 4.7 22.6 1.0 OH M:TYR203 4.9 25.0 1.0 CE2 M:PHE192 5.0 22.4 1.0 CA M:HIS214 5.0 15.4 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