Zinc 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:

Calcium

(Ca)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc 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 Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn500 b:24.5 occ:1.00 NE2 A:HIS232 1.9 20.7 1.0 N C:CYS1001 2.0 22.2 1.0 NE2 A:HIS222 2.0 25.1 1.0 NE2 A:HIS226 2.2 21.9 1.0 O C:CYS1001 2.4 22.2 1.0 CA C:CYS1001 2.9 22.9 1.0 C C:CYS1001 2.9 22.6 1.0 CD2 A:HIS232 2.9 23.4 1.0 CE1 A:HIS232 2.9 23.7 1.0 CD2 A:HIS222 3.0 25.7 1.0 CE1 A:HIS222 3.1 24.3 1.0 CD2 A:HIS226 3.1 22.3 1.0 CE1 A:HIS226 3.2 22.3 1.0 CB C:CYS1001 3.5 23.4 1.0 OE2 A:GLU223 4.0 24.1 1.0 ND1 A:HIS232 4.0 25.2 1.0 CG A:HIS232 4.0 25.2 1.0 N C:SER1002 4.1 22.3 1.0 CG A:HIS222 4.1 24.6 1.0 ND1 A:HIS222 4.1 24.7 1.0 OE1 A:GLU223 4.2 24.2 1.0 CG A:HIS226 4.3 22.0 1.0 ND1 A:HIS226 4.3 20.6 1.0 CD A:GLU223 4.5 25.7 1.0 CA A:PRO242 4.7 27.7 1.0 CB A:PRO242 4.8 28.0 1.0 OG C:SER1002 4.8 22.6 1.0 O C:ALA1069 4.9 25.1 1.0 O C:ALA1070 4.9 24.2 1.0 CA C:SER1002 4.9 22.7 1.0 CE A:MET240 5.0 24.2 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn501 b:27.6 occ:1.00 NE2 A:HIS172 1.9 28.7 1.0 ND1 A:HIS200 2.0 24.9 1.0 NE2 A:HIS187 2.0 28.3 1.0 OD2 A:ASP174 2.0 29.8 1.0 CE1 A:HIS187 2.8 26.5 1.0 CE1 A:HIS200 2.9 27.1 1.0 CD2 A:HIS172 2.9 30.4 1.0 CE1 A:HIS172 2.9 29.1 1.0 CG A:ASP174 3.0 29.0 1.0 CG A:HIS200 3.0 24.2 1.0 CD2 A:HIS187 3.1 28.8 1.0 OD1 A:ASP174 3.2 28.4 1.0 CB A:HIS200 3.4 24.4 1.0 ND1 A:HIS187 4.0 27.3 1.0 ND1 A:HIS172 4.0 29.0 1.0 NE2 A:HIS200 4.0 24.7 1.0 CG A:HIS172 4.0 30.6 1.0 CD2 A:HIS200 4.1 24.6 1.0 O A:TYR176 4.1 28.9 1.0 CG A:HIS187 4.1 23.3 1.0 CB A:ASP174 4.4 29.7 1.0 CZ A:PHE178 4.6 28.9 1.0 CZ A:PHE189 4.6 25.5 1.0 CE1 A:PHE189 4.7 25.3 1.0 CE2 A:PHE178 4.8 30.4 1.0 CB A:TYR176 4.8 28.1 1.0 O A:HOH542 4.9 35.6 1.0 CA A:HIS200 5.0 24.4 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