Cobalt in PDB 2j3z: Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1

The structure of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1, PDB code: 2j3z was solved by C.Schleberger, H.Hochmann, H.Barth, K.Aktories, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	93.421, 272.898, 246.290, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.8

The binding sites of Cobalt atom in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 (pdb code 2j3z). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 7 binding sites of Cobalt where determined in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1, PDB code: 2j3z:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5; 6; 7;

Cobalt binding site 1 out of 7 in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1432 b:69.1 occ:1.00 N A:ILE115 3.6 35.1 1.0 N A:ARG116 3.8 36.2 1.0 CG A:PRO161 3.8 31.5 1.0 CA A:SER114 4.2 37.7 1.0 OD1 A:ASP121 4.3 45.6 1.0 CA A:ILE115 4.3 34.1 1.0 C A:SER114 4.4 36.6 1.0 CB A:ILE115 4.4 32.9 1.0 CB A:PRO161 4.5 31.6 1.0 CB A:ARG116 4.5 38.2 1.0 C A:ILE115 4.6 35.5 1.0 CB A:SER114 4.6 39.4 1.0 CA A:ARG116 4.6 38.1 1.0 CD A:PRO161 4.7 31.1 1.0 O A:ARG116 4.7 39.8 1.0

Cobalt binding site 2 out of 7 in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co1432 b:46.7 occ:1.00 NE2 B:HIS243 1.9 59.9 1.0 NE2 A:HIS243 2.1 58.0 1.0 CE1 C:HIS243 2.2 53.3 1.0 NE2 C:HIS243 2.3 54.9 1.0 O B:HOH2095 2.3 45.5 1.0 CE1 B:HIS243 2.4 62.1 1.0 CE1 A:HIS243 2.9 59.5 1.0 CD2 B:HIS243 3.2 56.2 1.0 CD2 A:HIS243 3.3 53.8 1.0 ND1 C:HIS243 3.5 49.9 1.0 CD2 C:HIS243 3.6 52.9 1.0 ND1 B:HIS243 3.7 60.5 1.0 ND1 A:HIS243 4.1 58.0 1.0 CG B:HIS243 4.1 55.7 1.0 CG C:HIS243 4.2 49.2 1.0 CG A:HIS243 4.3 53.0 1.0

Cobalt binding site 3 out of 7 in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co1433 b:64.9 occ:1.00 N B:ILE115 3.6 42.7 1.0 CG B:PRO161 3.6 35.8 1.0 N B:ARG116 3.8 43.9 1.0 OD1 B:ASP121 3.8 52.3 1.0 OG B:SER114 4.0 49.3 1.0 CA B:ILE115 4.3 42.0 1.0 C B:SER114 4.4 44.7 1.0 CB B:PRO161 4.4 36.3 1.0 CA B:SER114 4.5 45.6 1.0 CB B:ILE115 4.5 40.0 1.0 CD B:PRO161 4.5 33.8 1.0 C B:ILE115 4.6 43.8 1.0 O B:ARG116 4.6 48.5 1.0 CB B:ARG116 4.7 46.1 1.0 CA B:ARG116 4.7 46.6 1.0 CB B:SER114 4.9 47.8 1.0 CG B:ARG116 4.9 44.1 1.0 CG B:ASP121 4.9 51.6 1.0

Cobalt binding site 4 out of 7 in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Co1430 b:51.9 occ:1.00 O C:HOH2040 3.6 30.8 1.0 N C:ILE115 3.7 34.9 1.0 CG C:PRO161 3.9 29.0 1.0 N C:ARG116 4.2 35.5 1.0 CA C:SER114 4.2 36.8 1.0 C C:SER114 4.5 36.1 1.0 CB C:SER114 4.6 38.3 1.0 CA C:ILE115 4.6 33.6 1.0 OD1 C:ASP121 4.6 43.5 1.0 CB C:ILE115 4.7 32.5 1.0 CB C:PRO161 4.8 29.3 1.0 CD C:PRO161 4.8 28.1 1.0 CB C:ARG116 4.8 37.0 1.0 C C:ILE115 4.9 35.1 1.0

Cobalt binding site 5 out of 7 in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Co1427 b:56.2 occ:1.00 O D:HOH2021 3.3 42.0 1.0 N D:ILE115 3.7 40.6 1.0 N D:ARG116 3.9 41.6 1.0 CG D:PRO161 3.9 36.1 1.0 OD1 D:ASP121 4.4 53.1 1.0 CB D:ILE115 4.4 37.3 1.0 CB D:PRO161 4.4 36.5 1.0 CA D:ILE115 4.4 39.4 1.0 CA D:SER114 4.5 43.0 1.0 CB D:ARG116 4.5 43.6 1.0 CD D:PRO161 4.6 36.6 1.0 C D:SER114 4.6 41.7 1.0 CG D:ARG116 4.6 40.7 1.0 C D:ILE115 4.7 40.8 1.0 CA D:ARG116 4.7 43.4 1.0 CB D:SER114 4.9 45.5 1.0 O D:ARG116 4.9 46.6 1.0

Cobalt binding site 6 out of 7 in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 6 of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 within 5.0Å range: probe atom residue distance (Å) B Occ E:Co1429 b:57.2 occ:1.00 N E:ILE115 3.5 43.9 1.0 O E:HOH2026 3.7 34.7 1.0 CG E:PRO161 3.8 39.1 1.0 N E:ARG116 3.9 44.9 1.0 CB E:ILE115 4.2 41.5 1.0 CA E:ILE115 4.3 43.2 1.0 CB E:PRO161 4.3 40.2 1.0 CA E:SER114 4.4 45.6 1.0 C E:SER114 4.5 45.1 1.0 OD1 E:ASP121 4.5 53.2 1.0 CD E:PRO161 4.6 38.3 1.0 C E:ILE115 4.6 44.5 1.0 CB E:ARG116 4.6 46.4 1.0 OG E:SER114 4.7 49.1 1.0 CB E:SER114 4.8 47.7 1.0 CA E:ARG116 4.8 46.8 1.0 CG E:ARG116 4.8 44.7 1.0 O E:ARG116 4.8 48.6 1.0

Cobalt binding site 7 out of 7 in the Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 7 of Crystal Structure of the Enzymatic Component C2-I of the C2-Toxin From Clostridium Botulinum at pH 6.1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Co1427 b:55.0 occ:1.00 O F:HOH2034 3.5 37.9 1.0 N F:ILE115 3.5 44.9 1.0 N F:ARG116 3.8 44.6 1.0 CG F:PRO161 4.0 37.2 1.0 CB F:ILE115 4.3 41.0 1.0 CA F:ILE115 4.3 43.4 1.0 CA F:SER114 4.4 48.3 1.0 C F:SER114 4.5 46.7 1.0 OG F:SER114 4.5 52.9 1.0 CB F:PRO161 4.6 37.6 1.0 C F:ILE115 4.6 44.4 1.0 CB F:ARG116 4.6 45.5 1.0 OD1 F:ASP121 4.6 53.5 1.0 CB F:SER114 4.7 51.2 1.0 CA F:ARG116 4.7 46.1 1.0 O F:ARG116 4.8 50.0 1.0 CD F:PRO161 4.8 36.5 1.0 CG F:ARG116 5.0 42.7 1.0

C.Schleberger, H.Hochmann, H.Barth, K.Aktories, G.E.Schulz. Structure and Action of the Binary C2 Toxin From Clostridium Botulinum. J.Mol.Biol. V. 364 705 2006.
ISSN: ISSN 0022-2836
PubMed: 17027031
DOI: 10.1016/J.JMB.2006.09.002