Chlorine in PDB 4fu4: Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain

The structure of Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain, PDB code: 4fu4 was solved by E.A.Stura, L.Vera, R.Visse, H.Nagase, V.Dive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.34 / 2.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	127.080, 156.580, 106.140, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 24.7

The structure of Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain also contains other interesting chemical elements:

Calcium	(Ca)	8 atoms
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain (pdb code 4fu4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain, PDB code: 4fu4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:16.2 occ:1.00 CA A:CA506 3.0 42.0 1.0 O A:ALA337 3.3 14.7 1.0 N A:ALA385 3.4 13.7 1.0 N A:ALA337 3.4 14.1 1.0 N A:ILE293 3.5 10.4 1.0 N A:VAL434 3.5 16.1 1.0 O A:ALA385 3.6 21.8 1.0 O A:VAL434 3.7 14.8 1.0 CA A:ALA292 3.8 9.6 1.0 CB A:ALA292 3.8 8.6 1.0 CA A:ALA384 3.8 11.8 1.0 O A:ILE293 3.8 14.2 1.0 CA A:ALA433 3.9 12.9 1.0 CA A:ALA336 4.1 18.4 1.0 CB A:ALA384 4.1 12.0 1.0 C A:ALA384 4.1 13.9 1.0 C A:ALA292 4.2 8.9 1.0 CB A:ALA433 4.2 10.5 1.0 C A:ALA337 4.2 17.6 1.0 C A:ALA433 4.2 18.4 1.0 C A:ALA336 4.3 17.4 1.0 CA A:ALA337 4.3 16.3 1.0 CB A:ALA336 4.3 14.4 1.0 CA A:ALA385 4.4 18.0 1.0 C A:ALA385 4.4 17.2 1.0 CG1 A:VAL434 4.5 16.6 1.0 C A:VAL434 4.5 16.1 1.0 CA A:VAL434 4.6 14.1 1.0 CA A:ILE293 4.6 11.6 1.0 C A:ILE293 4.6 11.1 1.0 CB A:ALA385 4.9 11.9 1.0 CB A:ALA337 4.9 10.1 1.0 O A:ASP291 5.0 13.0 1.0 O A:ASP432 5.0 13.3 1.0

Chlorine binding site 2 out of 4 in the Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:19.4 occ:1.00 N B:VAL434 3.3 16.8 1.0 N B:ILE293 3.3 15.8 1.0 CA B:ALA433 3.5 17.5 1.0 O B:ALA337 3.5 26.3 1.0 O B:VAL434 3.6 25.3 1.0 CA B:CA506 3.6 41.6 1.0 O B:ILE293 3.6 18.2 1.0 CA B:ALA292 3.7 11.8 1.0 O B:ALA385 3.7 26.6 1.0 N B:ALA337 3.7 14.9 1.0 N B:ALA385 3.7 23.0 1.0 CB B:ALA433 3.8 22.0 1.0 CB B:ALA384 3.9 13.6 1.0 CA B:ALA384 3.9 17.6 1.0 C B:ALA433 3.9 18.8 1.0 C B:ALA292 4.0 17.0 1.0 CB B:ALA292 4.0 10.0 1.0 CA B:ALA336 4.2 16.4 1.0 CG1 B:VAL434 4.3 19.2 1.0 CA B:VAL434 4.3 22.1 1.0 C B:ALA384 4.3 24.7 1.0 C B:VAL434 4.4 20.7 1.0 CA B:ILE293 4.4 19.5 1.0 C B:ILE293 4.4 18.9 1.0 CB B:ALA336 4.5 15.4 1.0 C B:ALA337 4.5 20.1 1.0 C B:ALA336 4.5 21.5 1.0 C B:ALA385 4.6 22.0 1.0 CA B:ALA337 4.6 17.0 1.0 CA B:ALA385 4.7 16.8 1.0 O B:ASP291 4.7 16.3 1.0 N B:ALA433 4.8 12.6 1.0 O B:ASP432 4.8 19.3 1.0 CB B:ILE293 4.9 19.0 1.0 N B:ALA292 4.9 14.5 1.0 CB B:VAL434 4.9 24.5 1.0 O B:SER383 4.9 13.5 1.0

Chlorine binding site 3 out of 4 in the Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:25.6 occ:1.00 ZN A:ZN501 3.0 17.2 1.0 N C:GLU40 3.0 21.6 1.0 O C:PHE38 3.0 27.0 1.0 CD2 A:HIS226 3.2 19.1 1.0 C C:ALA39 3.4 21.6 1.0 CA C:ALA39 3.5 23.2 1.0 CA A:HIS187 3.5 23.6 1.0 NE2 A:HIS226 3.6 16.7 1.0 O A:ALA186 3.6 24.5 1.0 C C:PHE38 3.8 24.6 1.0 CD2 A:HIS222 3.8 14.0 1.0 N A:ALA188 4.0 23.7 1.0 C A:ALA186 4.0 25.5 1.0 N C:ALA39 4.0 25.3 1.0 N A:HIS187 4.0 20.7 1.0 CA C:GLU40 4.1 23.8 1.0 CB C:GLU40 4.1 17.8 1.0 CB A:ALA223 4.1 18.3 1.0 C A:HIS187 4.1 26.3 1.0 NE2 A:HIS222 4.1 14.8 1.0 O C:ALA39 4.3 26.5 1.0 CA A:ALA223 4.3 16.5 1.0 CB A:HIS187 4.4 24.7 1.0 CG A:HIS226 4.5 20.4 1.0 CB A:ALA188 4.7 25.6 1.0 CB C:ALA39 4.7 16.4 1.0 CE1 A:HIS226 4.9 19.5 1.0 NE2 A:HIS232 4.9 18.5 1.0 N A:ALA223 5.0 16.0 1.0

Chlorine binding site 4 out of 4 in the Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Collagenase 3 (Mmp-13) with Peptide From Pro-Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl101 b:27.2 occ:1.00 ZN B:ZN501 3.0 12.9 1.0 O D:ARG44 3.2 17.1 1.0 N D:TYR46 3.2 18.4 1.0 CD2 B:HIS226 3.5 11.1 1.0 C D:SER45 3.5 20.1 1.0 CB D:TYR46 3.6 14.1 1.0 CD2 B:HIS222 3.6 15.2 1.0 NE2 B:HIS226 3.6 9.1 1.0 CA D:SER45 3.7 17.1 1.0 C D:ARG44 3.8 17.3 1.0 CA B:HIS187 3.8 12.2 1.0 O B:ALA186 3.9 11.2 1.0 NE2 B:HIS222 3.9 12.8 1.0 CA D:TYR46 3.9 16.5 1.0 N D:SER45 4.0 20.0 1.0 N B:ALA188 4.1 13.3 1.0 C B:ALA186 4.2 13.0 1.0 O D:SER45 4.3 26.1 1.0 N B:HIS187 4.3 9.7 1.0 C B:HIS187 4.3 12.6 1.0 CG D:TYR46 4.5 16.9 1.0 CA B:ALA223 4.5 9.8 1.0 CB B:ALA223 4.7 7.0 1.0 CG B:HIS226 4.7 10.6 1.0 CB B:HIS187 4.8 14.2 1.0 CB B:ALA186 4.8 9.0 1.0 NE2 B:HIS232 4.8 14.4 1.0 CB B:ALA188 4.8 8.2 1.0 CE1 B:HIS226 4.9 9.1 1.0 N B:ALA223 4.9 10.5 1.0 CB D:ARG44 4.9 12.1 1.0 CG B:HIS222 4.9 16.6 1.0 CA D:ARG44 5.0 15.8 1.0

E.A.Stura, R.Visse, P.Cuniasse, V.Dive, H.Nagase. Crystal Structure of Full-Length Human Collagenase 3 (Mmp-13) with Peptides in the Active Site Defines Exosites in the Catalytic Domain. Faseb J. V. 27 4395 2013.
ISSN: ISSN 0892-6638
PubMed: 23913860
DOI: 10.1096/FJ.13-233601