Calcium in PDB 1mmb: Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8

All present enzymatic activity of Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8:
3.4.24.34;

The structure of Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8, PDB code: 1mmb was solved by W.Bode, F.Grams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.670, 69.640, 73.400, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / n/a

The structure of Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8 (pdb code 1mmb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8, PDB code: 1mmb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca996 b:16.1 occ:1.00 H2 A:HOH1027 1.7 15.0 1.0 H1 A:HOH1026 1.7 15.0 1.0 O A:HOH1027 2.2 22.3 1.0 O A:ASP137 2.3 18.7 1.0 O A:GLY169 2.3 25.9 1.0 O A:GLY171 2.3 15.3 1.0 OD2 A:ASP173 2.3 13.0 1.0 H1 A:HOH1027 2.4 15.0 1.0 O A:HOH1026 2.5 17.3 1.0 H2 A:HOH1026 2.5 15.0 1.0 CG A:ASP173 3.3 14.9 1.0 C A:ASP137 3.4 19.6 1.0 C A:GLY169 3.5 25.3 1.0 HD22 A:ASN139 3.5 15.0 1.0 C A:GLY171 3.5 16.3 1.0 OD1 A:ASP173 3.7 14.0 1.0 H A:ASP173 3.8 15.0 1.0 H A:ASN139 3.9 15.0 1.0 C A:ILE170 3.9 20.9 1.0 N A:GLY171 4.0 19.4 1.0 H2 A:HOH1028 4.0 15.0 1.0 O A:ILE170 4.1 22.6 1.0 H1 A:HOH1168 4.1 15.0 1.0 N A:ASP173 4.2 12.0 1.0 O A:GLY167 4.2 23.9 1.0 H1 A:HOH1167 4.2 15.0 1.0 H A:GLY171 4.3 15.0 1.0 CA A:ASP137 4.3 20.8 1.0 CA A:GLY171 4.3 16.7 1.0 N A:ILE170 4.3 24.2 1.0 O A:ALA136 4.4 21.2 1.0 H2 A:HOH1045 4.4 15.0 1.0 ND2 A:ASN139 4.4 17.0 1.0 N A:ILE138 4.4 17.6 1.0 CA A:ILE170 4.4 22.6 1.0 CA A:GLY169 4.4 25.3 1.0 N A:GLY172 4.5 14.9 1.0 CA A:ILE138 4.5 16.2 1.0 N A:GLY169 4.5 25.5 1.0 CB A:ASP173 4.6 12.8 1.0 C A:GLY172 4.6 12.2 1.0 H A:GLY169 4.6 15.0 1.0 CA A:GLY172 4.6 12.4 1.0 HD21 A:ASN139 4.7 15.0 1.0 N A:ASN139 4.7 13.7 1.0 CA A:ASP173 4.8 12.0 1.0 O A:HOH1045 4.9 26.2 1.0 C A:GLN168 4.9 26.6 1.0 H2 A:HOH1168 4.9 15.0 1.0

Calcium binding site 2 out of 2 in the Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca997 b:12.7 occ:1.00 OE1 A:GLU180 2.1 14.7 1.0 OD2 A:ASP154 2.3 17.2 1.0 O A:GLY155 2.3 18.2 1.0 O A:ILE159 2.3 18.8 1.0 OD1 A:ASP177 2.4 13.8 1.0 O A:ASN157 2.5 17.7 1.0 CD A:GLU180 3.4 15.9 1.0 H A:ASP154 3.4 15.0 1.0 CG A:ASP177 3.4 15.7 1.0 C A:ILE159 3.5 18.6 1.0 CG A:ASP154 3.5 19.1 1.0 C A:GLY155 3.5 16.8 1.0 C A:ASN157 3.6 16.4 1.0 H A:ILE159 3.9 15.0 1.0 H A:GLY155 3.9 15.0 1.0 N A:ILE159 3.9 17.0 1.0 N A:GLY155 4.0 18.2 1.0 N A:ASN157 4.0 17.1 1.0 CB A:ASP177 4.0 14.9 1.0 C A:PRO156 4.1 17.0 1.0 OE2 A:GLU180 4.1 15.6 1.0 H A:ASN157 4.1 15.0 1.0 OD1 A:ASP154 4.1 18.1 1.0 C A:ASP154 4.2 18.8 1.0 N A:ASP154 4.2 19.2 1.0 C A:GLY158 4.2 16.9 1.0 CA A:ILE159 4.3 19.0 1.0 OD2 A:ASP177 4.3 13.9 1.0 CA A:GLY155 4.4 16.9 1.0 CA A:ASN157 4.4 17.2 1.0 O A:PRO156 4.4 16.2 1.0 N A:LEU160 4.4 17.6 1.0 CG A:GLU180 4.4 16.9 1.0 N A:PRO156 4.5 16.3 1.0 CA A:PRO156 4.5 16.5 1.0 CA A:ASP154 4.5 18.6 1.0 N A:GLY158 4.6 15.7 1.0 CB A:ASP154 4.6 18.5 1.0 CA A:LEU160 4.7 16.1 1.0 CA A:GLY158 4.7 15.3 1.0 O A:ASP154 4.7 18.3 1.0 O A:GLY158 4.8 17.2 1.0 CG1 A:ILE159 4.9 23.5 1.0 H1 A:HOH1021 4.9 15.0 1.0

F.Grams, M.Crimmin, L.Hinnes, P.Huxley, M.Pieper, H.Tschesche, W.Bode. Structure Determination and Analysis of Human Neutrophil Collagenase Complexed with A Hydroxamate Inhibitor. Biochemistry V. 34 14012 1995.
ISSN: ISSN 0006-2960
PubMed: 7577999
DOI: 10.1021/BI00043A007