Zinc 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:

Calcium

(Ca)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Complex of BB94 with the Catalytic Domain of Matrix Metalloproteinase-8, PDB code: 1mmb:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn998 b:17.8 occ:1.00 OD2 A:ASP149 1.7 16.7 1.0 NE2 A:HIS147 2.1 16.8 1.0 ND1 A:HIS175 2.2 17.6 1.0 NE2 A:HIS162 2.2 19.1 1.0 CG A:ASP149 2.8 20.0 1.0 CD2 A:HIS147 2.9 17.1 1.0 CE1 A:HIS175 3.1 15.5 1.0 CE1 A:HIS162 3.2 19.4 1.0 OD1 A:ASP149 3.2 19.4 1.0 CE1 A:HIS147 3.2 17.9 1.0 CG A:HIS175 3.2 14.2 1.0 CD2 A:HIS162 3.3 19.7 1.0 CB A:HIS175 3.6 12.6 1.0 CB A:ASP149 4.1 21.6 1.0 CG A:HIS147 4.2 17.1 1.0 O A:SER151 4.2 21.9 1.0 H2 A:HOH1075 4.2 15.0 1.0 NE2 A:HIS175 4.2 15.0 1.0 CE2 A:PHE164 4.3 18.4 1.0 ND1 A:HIS147 4.3 17.0 1.0 CZ A:PHE164 4.3 18.5 1.0 ND1 A:HIS162 4.3 20.6 1.0 CD2 A:HIS175 4.3 14.0 1.0 CG A:HIS162 4.4 18.5 1.0 CE2 A:PHE153 4.7 17.7 1.0 CZ A:PHE153 4.7 17.2 1.0 H A:ASP149 5.0 15.0 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn999 b:21.0 occ:1.00 NE2 A:HIS197 1.9 18.1 1.0 O1 A:BAT1 2.0 25.2 1.0 NE2 A:HIS207 2.0 19.8 1.0 NE2 A:HIS201 2.1 19.2 1.0 O2 A:BAT1 2.7 26.2 1.0 CE1 A:HIS197 2.9 17.2 1.0 C2 A:BAT1 2.9 27.4 1.0 CD2 A:HIS197 2.9 17.5 1.0 CE1 A:HIS207 3.0 17.5 1.0 CD2 A:HIS207 3.1 18.3 1.0 CE1 A:HIS201 3.1 18.4 1.0 CD2 A:HIS201 3.1 17.8 1.0 N1 A:BAT1 3.2 26.5 1.0 HO2 A:BAT1 3.4 15.0 1.0 H2 A:HOH1142 3.7 15.0 1.0 ND1 A:HIS197 4.0 16.0 1.0 CG A:HIS197 4.1 16.4 1.0 ND1 A:HIS207 4.1 17.1 1.0 CG A:HIS207 4.2 17.2 1.0 HN1 A:BAT1 4.2 15.0 1.0 C1 A:BAT1 4.2 31.2 1.0 ND1 A:HIS201 4.2 17.7 1.0 CG A:HIS201 4.3 17.0 1.0 O A:HOH1142 4.3 18.4 1.0 S2 A:BAT1 4.4 48.5 1.0 H1 A:HOH1142 4.5 15.0 1.0 C9 A:BAT1 4.6 31.4 1.0 C8 A:BAT1 4.6 32.2 1.0 OE1 A:GLU198 4.7 14.8 1.0 OE2 A:GLU198 4.7 12.4 1.0 CE A:MET215 4.9 15.2 1.0 HD1 A:HIS197 4.9 15.0 1.0 C3 A:BAT1 4.9 34.2 1.0 C7 A:BAT1 4.9 46.6 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