Chlorine in PDB 4gwm: Crystal Structure of Human Promeprin Beta

All present enzymatic activity of Crystal Structure of Human Promeprin Beta:
3.4.24.63;

The structure of Crystal Structure of Human Promeprin Beta, PDB code: 4gwm was solved by J.L.Arolas, C.Broder, T.Jefferson, T.Guevara, E.E.Sterchi, W.Bode, W.Stocker, C.Becker-Pauly, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.45 / 1.85
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	69.620, 71.120, 85.740, 74.87, 80.08, 65.13
R / Rfree (%)	16.8 / 18.8

The structure of Crystal Structure of Human Promeprin Beta also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Promeprin Beta (pdb code 4gwm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Human Promeprin Beta, PDB code: 4gwm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Human Promeprin Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Promeprin Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl728 b:28.6 occ:0.80 O A:HOH808 3.1 30.0 1.0 N A:SER266 3.2 21.9 1.0 N A:GLU268 3.4 26.9 1.0 N A:PHE267 3.5 20.2 1.0 O A:HOH1052 3.6 67.6 1.0 CA A:SER266 3.8 22.0 1.0 C A:SER266 3.8 23.6 1.0 SG A:CYS273 3.8 40.6 1.0 CB A:SER266 3.8 27.1 1.0 CB A:GLU268 4.0 32.3 1.0 C A:CYS265 4.2 26.6 1.0 CA A:GLU268 4.2 29.4 1.0 CA A:PHE267 4.3 20.7 1.0 CG A:GLU268 4.3 46.3 1.0 C A:PHE267 4.3 26.3 1.0 CA A:CYS265 4.3 27.5 1.0 O A:HOH911 4.7 30.8 1.0 O A:SER266 4.7 22.4 1.0 N A:LEU269 4.7 27.7 1.0 OG A:SER266 4.7 35.0 1.0 SG A:CYS265 4.8 37.5 1.0 O A:SER264 4.9 25.3 1.0 C A:GLU268 5.0 32.9 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Human Promeprin Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Promeprin Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl729 b:28.2 occ:0.92 OG A:SER517 3.0 28.0 1.0 O A:HOH851 3.0 23.1 1.0 NE2 A:GLN515 3.2 22.8 1.0 ND2 A:ASN93 3.2 28.5 1.0 CG2 A:VAL90 3.9 29.6 1.0 CG A:GLN515 3.9 30.3 1.0 CB A:SER517 3.9 29.2 1.0 CB A:ILE147 3.9 26.0 1.0 CB A:ASN93 3.9 25.4 1.0 CD A:GLN515 4.0 33.2 1.0 CG A:ASN93 4.0 41.6 1.0 CG1 A:VAL90 4.2 27.4 1.0 CA A:VAL90 4.2 25.8 1.0 CD1 A:ILE147 4.3 25.8 1.0 CB A:VAL90 4.3 29.5 1.0 N A:SER517 4.3 26.0 1.0 CG2 A:THR498 4.3 29.9 1.0 CG2 A:ILE147 4.5 25.3 1.0 CG1 A:ILE147 4.5 26.2 1.0 C A:ARG516 4.6 29.2 1.0 O A:VAL90 4.7 27.1 1.0 N A:ILE147 4.7 24.4 1.0 CA A:SER517 4.7 26.7 1.0 OG1 A:THR498 4.8 34.7 1.0 CA A:ILE147 4.8 22.8 1.0 O A:GLN515 4.8 27.9 1.0 O A:HOH850 4.9 28.8 1.0 CA A:ARG516 4.9 25.4 1.0 CB A:GLN515 4.9 25.6 1.0 C A:GLN515 5.0 28.2 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Human Promeprin Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Promeprin Beta within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl727 b:18.2 occ:0.93 OG B:SER517 3.0 20.8 1.0 O B:HOH868 3.1 17.4 1.0 ND2 B:ASN93 3.1 20.3 1.0 NE2 B:GLN515 3.1 18.1 1.0 CG B:GLN515 3.8 19.6 1.0 CB B:SER517 3.9 18.9 1.0 CB B:ASN93 3.9 19.5 1.0 CG2 B:VAL90 3.9 17.7 1.0 CD B:GLN515 4.0 28.2 1.0 CB B:ILE147 4.0 16.0 1.0 CG B:ASN93 4.0 30.0 1.0 CG1 B:VAL90 4.2 18.4 1.0 CA B:VAL90 4.2 14.6 1.0 CG2 B:THR498 4.2 19.2 1.0 CD1 B:ILE147 4.3 17.1 1.0 N B:SER517 4.3 15.8 1.0 CB B:VAL90 4.4 18.2 1.0 C B:ARG516 4.5 20.3 1.0 CG1 B:ILE147 4.5 15.8 1.0 CG2 B:ILE147 4.5 18.2 1.0 CA B:SER517 4.7 16.4 1.0 O B:VAL90 4.8 18.7 1.0 OG1 B:THR498 4.8 22.7 1.0 O B:GLN515 4.8 16.8 1.0 N B:ILE147 4.8 15.0 1.0 CA B:ARG516 4.8 14.7 1.0 CB B:GLN515 4.8 14.9 1.0 O B:HOH864 4.9 20.1 1.0 CA B:ILE147 4.9 14.1 1.0 C B:GLN515 4.9 19.3 1.0 N B:ARG516 4.9 14.3 1.0 O B:ARG516 5.0 18.6 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Human Promeprin Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Promeprin Beta within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl728 b:32.0 occ:0.87 O B:HOH829 3.1 42.7 1.0 ND2 B:ASN114 3.2 28.9 1.0 O B:HOH1184 3.3 56.9 1.0 ND2 B:ASN130 3.3 24.3 1.0 NH1 B:ARG132 3.7 63.2 1.0 CB B:ASN114 3.8 25.2 1.0 CD B:PRO72 3.9 25.5 1.0 CG B:PRO72 4.0 30.4 1.0 CG B:ASN114 4.0 28.8 1.0 CG2 B:THR113 4.4 35.1 1.0 CZ B:ARG132 4.4 76.3 1.0 CG B:ASN130 4.4 32.5 1.0 NH2 B:ARG132 4.5 63.0 1.0 N B:ASN114 4.6 26.2 1.0 O B:HOH830 4.6 31.5 1.0 OD1 B:ASN130 4.7 26.5 1.0 CE3 B:TRP71 4.8 20.7 1.0 CA B:ASN114 4.8 25.4 1.0 O B:ASN114 4.9 24.4 1.0 CZ3 B:TRP71 4.9 22.2 1.0 N B:PRO72 5.0 23.8 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Human Promeprin Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Promeprin Beta within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl729 b:20.4 occ:0.79 O B:HOH1152 2.8 52.3 1.0 O B:HOH1167 3.0 49.0 1.0 O B:HOH885 3.0 27.0 1.0 NH1 B:ARG511 3.2 19.0 1.0 O B:HOH1147 3.3 33.3 1.0 NE2 B:GLN342 3.4 20.6 1.0 CD1 B:LEU502 3.7 19.9 1.0 O B:HOH1221 3.9 56.8 1.0 CD1 B:ILE508 4.1 38.5 1.0 CD B:ARG511 4.1 15.2 1.0 CG1 B:ILE508 4.2 23.9 1.0 OE1 B:GLN342 4.2 21.3 1.0 CD B:GLN342 4.2 30.0 1.0 CZ B:ARG511 4.3 19.5 1.0 CD1 B:LEU582 4.6 24.3 1.0 NE B:ARG511 4.7 15.8 1.0 O B:HOH883 4.7 27.6 1.0

J.L.Arolas, C.Broder, T.Jefferson, T.Guevara, E.E.Sterchi, W.Bode, W.Stocker, C.Becker-Pauly, F.X.Gomis-Ruth. Structural Basis For the Sheddase Function of Human Meprin Beta Metalloproteinase at the Plasma Membrane Proc.Natl.Acad.Sci.Usa V. 109 16131 2012.
ISSN: ISSN 0027-8424
PubMed: 22988105
DOI: 10.1073/PNAS.1211076109