Chlorine in PDB 2ovz: Mmp-9 Active Site Mutant with Phosphinate Inhibitor

All present enzymatic activity of Mmp-9 Active Site Mutant with Phosphinate Inhibitor:
3.4.24.35;

The structure of Mmp-9 Active Site Mutant with Phosphinate Inhibitor, PDB code: 2ovz was solved by A.Tochowicz, W.Bode, K.Maskos, P.Goettig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.850, 55.850, 259.890, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 25.1

The structure of Mmp-9 Active Site Mutant with Phosphinate Inhibitor also contains other interesting chemical elements:

Calcium	(Ca)	10 atoms
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor (pdb code 2ovz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor, PDB code: 2ovz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl451 b:21.7 occ:1.00 OG A:SER394 3.0 20.9 1.0 N A:GLY213 3.1 22.0 1.0 O A:HOH520 3.2 17.3 1.0 CA A:GLY213 3.7 23.6 1.0 CB A:SER394 3.7 19.4 1.0 O A:HOH593 3.8 39.7 1.0 CE2 A:PHE425 3.8 26.8 1.0 CD2 A:PHE396 3.8 19.9 1.0 C A:LEU212 4.1 21.3 1.0 CB A:PHE396 4.1 18.6 1.0 CA A:LEU212 4.2 21.0 1.0 CB A:LEU212 4.4 17.6 1.0 CG A:PHE396 4.5 21.8 1.0 CG A:LEU397 4.5 22.0 1.0 CD2 A:LEU212 4.5 14.4 1.0 CD2 A:PHE425 4.6 29.3 1.0 CZ A:PHE425 4.6 28.3 1.0 CE2 A:PHE396 4.8 23.1 1.0 C A:GLY213 4.9 21.5 1.0 CA A:SER394 4.9 20.1 1.0 CD1 A:LEU397 4.9 23.2 1.0

Chlorine binding site 2 out of 4 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl452 b:26.4 occ:1.00 O A:HOH549 3.2 25.1 1.0 NH1 A:ARG143 3.5 19.9 1.0 CZ A:PHE396 3.7 21.9 1.0 CD A:ARG143 3.7 21.8 1.0 CB A:ARG143 3.9 20.3 1.0 CE1 A:PHE396 4.1 22.1 1.0 CG A:ARG143 4.1 23.9 1.0 CE2 A:PHE396 4.4 23.1 1.0 CZ A:ARG143 4.5 19.4 1.0 NE A:ARG143 4.5 20.7 1.0 O A:ARG143 4.9 19.6 1.0 CA A:ARG143 4.9 20.3 1.0

Chlorine binding site 3 out of 4 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl453 b:25.5 occ:1.00 O A:HOH547 2.9 36.5 1.0 N A:TYR128 3.2 19.0 1.0 N B:TYR128 3.3 19.0 1.0 CB A:ASN127 3.5 17.4 1.0 O B:HOH551 3.5 36.0 1.0 CA A:ASN127 3.7 20.9 1.0 O B:TYR128 3.8 28.2 1.0 CB B:ASN127 3.8 17.6 1.0 C A:ASN127 3.9 20.1 1.0 CD1 A:TYR128 4.0 20.4 1.0 CA B:TYR128 4.0 23.1 1.0 CB B:TYR128 4.1 21.3 1.0 CA A:TYR128 4.1 18.1 1.0 CB A:TYR128 4.1 19.7 1.0 CA B:ASN127 4.2 18.7 1.0 C B:ASN127 4.2 20.3 1.0 NH2 A:ARG134 4.2 32.8 1.0 C B:TYR128 4.2 24.7 1.0 O A:TYR128 4.2 19.0 1.0 CD1 B:TYR128 4.4 21.9 1.0 CG A:TYR128 4.6 20.9 1.0 C A:TYR128 4.6 19.9 1.0 O A:HOH579 4.7 45.5 1.0 CG B:TYR128 4.8 22.4 1.0 CG B:ASN127 4.8 20.8 1.0 CG A:ASN127 4.8 20.2 1.0 O B:HOH575 4.8 34.9 1.0 CZ A:ARG134 5.0 33.2 1.0 ND2 B:ASN127 5.0 21.1 1.0

Chlorine binding site 4 out of 4 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl451 b:23.8 occ:1.00 OG B:SER394 3.0 25.6 1.0 N B:GLY213 3.1 20.6 1.0 O B:HOH578 3.5 47.4 1.0 CA B:GLY213 3.8 19.9 1.0 CD2 B:PHE396 3.8 22.1 1.0 CB B:SER394 3.8 23.8 1.0 CE2 B:PHE425 4.0 27.7 1.0 C B:LEU212 4.1 19.3 1.0 CB B:PHE396 4.1 19.5 1.0 CA B:LEU212 4.2 20.2 1.0 CB B:LEU212 4.4 16.9 1.0 CG B:PHE396 4.5 21.0 1.0 CD2 B:LEU212 4.5 18.6 1.0 CG B:LEU397 4.6 22.5 1.0 CD2 B:PHE425 4.7 28.3 1.0 CE2 B:PHE396 4.8 24.3 1.0 C B:GLY213 4.9 22.8 1.0 CD1 B:LEU397 4.9 24.3 1.0 CZ B:PHE425 5.0 28.1 1.0 CA B:SER394 5.0 21.4 1.0

A.Tochowicz, K.Maskos, R.Huber, R.Oltenfreiter, V.Dive, A.Yiotakis, M.Zanda, W.Bode, P.Goettig. Crystal Structures of Mmp-9 Complexes with Five Inhibitors: Contribution of the Flexible ARG424 Side-Chain to Selectivity. J.Mol.Biol. V. 371 989 2007.
ISSN: ISSN 0022-2836
PubMed: 17599356
DOI: 10.1016/J.JMB.2007.05.068