Chlorine in PDB 1gus: Mopii From Clostridium Pasteurianum (APO1)

The structure of Mopii From Clostridium Pasteurianum (APO1), PDB code: 1gus was solved by A.W.Schuettelkopf, J.A.Harrison, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.77 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.080, 82.400, 56.820, 90.00, 93.23, 90.00
R / Rfree (%)	17.9 / 21.7

The structure of Mopii From Clostridium Pasteurianum (APO1) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Mopii From Clostridium Pasteurianum (APO1) (pdb code 1gus). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Mopii From Clostridium Pasteurianum (APO1), PDB code: 1gus:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Mopii From Clostridium Pasteurianum (APO1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mopii From Clostridium Pasteurianum (APO1) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1069 b:22.2 occ:1.00 O B:HOH2033 2.8 28.1 1.0 N D:SER61 3.0 10.3 1.0 O D:HOH2052 3.1 21.7 1.0 OG D:SER61 3.1 15.3 1.0 O D:HOH2004 3.2 17.6 1.0 N D:ARG6 3.3 21.9 1.0 CB D:SER61 3.5 11.9 1.0 O D:SER4 3.5 20.9 1.0 CA D:ALA5 3.5 21.5 1.0 CA D:SER61 3.9 11.6 1.0 CG D:ARG6 3.9 26.4 1.0 CA D:LYS60 3.9 11.8 1.0 C D:LYS60 3.9 10.8 1.0 C D:ALA5 3.9 22.2 1.0 C D:SER4 4.2 21.3 1.0 CB D:ARG6 4.2 23.3 1.0 N D:ALA5 4.2 21.4 1.0 CA D:ARG6 4.4 22.5 1.0 CB D:LYS60 4.5 15.0 1.0 CB D:ALA5 4.6 21.7 1.0 O D:VAL59 4.8 12.5 1.0 CD D:ARG6 4.8 30.8 1.0 OG B:SER40 4.9 20.2 1.0 O B:HOH2032 5.0 18.9 1.0 OG B:SER43 5.0 22.9 1.0

Chlorine binding site 2 out of 3 in the Mopii From Clostridium Pasteurianum (APO1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mopii From Clostridium Pasteurianum (APO1) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1069 b:22.2 occ:1.00 O A:HOH2034 2.8 24.7 1.0 N E:SER61 3.0 10.1 1.0 O E:HOH2055 3.0 23.0 1.0 OG E:SER61 3.2 15.8 1.0 O E:HOH2003 3.3 16.5 1.0 N E:ARG6 3.3 21.2 1.0 O E:SER4 3.5 20.7 1.0 CA E:ALA5 3.5 21.2 1.0 CB E:SER61 3.5 11.8 1.0 CA E:LYS60 3.9 12.0 1.0 C E:ALA5 3.9 21.9 1.0 CG E:ARG6 3.9 24.3 1.0 C E:LYS60 3.9 10.8 1.0 CA E:SER61 3.9 11.5 1.0 C E:SER4 4.1 21.3 1.0 N E:ALA5 4.2 21.3 1.0 CB E:ARG6 4.2 23.5 1.0 CA E:ARG6 4.4 22.5 1.0 CB E:LYS60 4.4 14.1 1.0 CB E:ALA5 4.5 21.6 1.0 O E:VAL59 4.8 10.7 1.0 CD E:ARG6 4.8 32.0 1.0 OG A:SER40 4.9 23.0 1.0 O A:HOH2033 5.0 17.9 1.0

Chlorine binding site 3 out of 3 in the Mopii From Clostridium Pasteurianum (APO1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mopii From Clostridium Pasteurianum (APO1) within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1069 b:22.8 occ:1.00 O C:HOH2026 2.8 26.0 1.0 N F:SER61 3.0 10.4 1.0 O F:HOH2046 3.0 25.7 1.0 OG F:SER61 3.1 14.5 1.0 O F:HOH2003 3.2 18.0 1.0 N F:ARG6 3.3 21.9 1.0 CB F:SER61 3.5 12.8 1.0 O F:SER4 3.5 21.1 1.0 CA F:ALA5 3.6 21.5 1.0 CA F:SER61 3.9 12.0 1.0 CA F:LYS60 3.9 11.4 1.0 C F:LYS60 3.9 11.7 1.0 CG F:ARG6 3.9 27.0 1.0 C F:ALA5 4.0 21.9 1.0 C F:SER4 4.2 21.6 1.0 N F:ALA5 4.3 21.5 1.0 CB F:ARG6 4.3 23.7 1.0 CB F:LYS60 4.4 14.8 1.0 CA F:ARG6 4.4 22.8 1.0 CB F:ALA5 4.6 21.9 1.0 O F:VAL59 4.8 11.7 1.0 CD F:ARG6 4.8 33.4 1.0 OG C:SER40 4.9 21.4 1.0 O C:HOH2025 4.9 16.4 1.0 N C:SER40 5.0 15.8 1.0 C F:SER61 5.0 10.8 1.0

A.W.Schuettelkopf, J.A.Harrison, D.H.Boxer, W.N.Hunter. Passive Acquisition of Ligand By the Mopii Molbindin From Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem. V. 277 15013 2002.
ISSN: ISSN 0021-9258
PubMed: 11836258
DOI: 10.1074/JBC.M201005200