Chlorine in PDB 2bb6: Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form

The structure of Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form, PDB code: 2bb6 was solved by J.Wuerges, G.Garau, S.Geremia, S.N.Fedosov, T.E.Petersen, L.Randaccio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.826, 100.664, 99.143, 90.00, 97.16, 90.00
R / Rfree (%)	24.1 / 28

The structure of Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form also contains other interesting chemical elements:

Cobalt

(Co)

4 atoms

The binding sites of Chlorine atom in the Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form (pdb code 2bb6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form, PDB code: 2bb6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:23.9 occ:1.00 N A:ASN270 3.2 14.6 1.0 NE2 A:GLN394 3.3 13.7 1.0 N A:GLN269 3.3 20.8 1.0 N33 A:B120 3.4 14.9 1.0 OH A:TYR229 3.4 16.4 1.0 CB A:ASN270 3.5 12.2 1.0 O A:THR267 3.5 27.3 1.0 CE1 A:TYR229 3.7 13.1 1.0 CZ A:TYR229 3.8 14.8 1.0 CG A:GLN394 3.9 12.9 1.0 CA A:ASN270 4.0 12.7 1.0 CA A:GLN269 4.1 20.2 1.0 CD A:GLN394 4.1 15.2 1.0 C A:GLN269 4.1 17.4 1.0 CB A:GLN269 4.2 22.4 1.0 CA A:PHE268 4.2 22.5 1.0 C A:PHE268 4.3 21.9 1.0 C32 A:B120 4.5 12.8 1.0 CB A:ASP398 4.5 13.5 1.0 O A:HOH906 4.6 20.2 1.0 C A:THR267 4.6 28.1 1.0 CD1 A:TYR229 4.6 12.2 1.0 CG A:ASP398 4.7 16.3 1.0 O34 A:B120 4.7 11.3 1.0 CG A:MET273 4.8 10.5 1.0 OD2 A:ASP398 4.8 19.1 1.0 CE2 A:TYR229 4.8 13.3 1.0 CB A:MET273 4.8 9.7 1.0 CG A:ASN270 4.8 10.7 1.0 N A:PHE268 4.9 25.8 1.0 CG A:GLN269 4.9 27.7 1.0

Chlorine binding site 2 out of 4 in the Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl902 b:24.5 occ:1.00 NE2 B:GLN394 3.2 16.0 1.0 N B:ASN270 3.2 16.1 1.0 N33 B:B120 3.3 15.5 1.0 N B:GLN269 3.3 22.1 1.0 OH B:TYR229 3.4 17.8 1.0 CB B:ASN270 3.5 13.5 1.0 O B:THR267 3.6 28.7 1.0 CE1 B:TYR229 3.6 14.1 1.0 CZ B:TYR229 3.7 16.4 1.0 CG B:GLN394 3.9 15.0 1.0 CA B:ASN270 4.0 14.1 1.0 CA B:GLN269 4.0 21.7 1.0 CD B:GLN394 4.1 17.3 1.0 C B:GLN269 4.1 19.0 1.0 CB B:GLN269 4.2 24.1 1.0 CA B:PHE268 4.2 23.5 1.0 C B:PHE268 4.3 23.1 1.0 C32 B:B120 4.4 13.4 1.0 CB B:ASP398 4.6 15.7 1.0 CD1 B:TYR229 4.6 13.2 1.0 O34 B:B120 4.6 11.9 1.0 C B:THR267 4.6 29.4 1.0 O B:HOH921 4.7 20.7 1.0 CG B:ASP398 4.7 18.6 1.0 CG B:MET273 4.7 10.9 1.0 CB B:MET273 4.8 10.2 1.0 CE2 B:TYR229 4.8 15.0 1.0 OD2 B:ASP398 4.8 21.5 1.0 CG B:ASN270 4.8 12.0 1.0 N B:PHE268 4.9 26.8 1.0

Chlorine binding site 3 out of 4 in the Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl904 b:23.7 occ:1.00 N C:ASN270 3.2 18.3 1.0 NE2 C:GLN394 3.2 14.3 1.0 N C:GLN269 3.3 24.0 1.0 N33 C:B120 3.4 13.1 1.0 OH C:TYR229 3.5 18.7 1.0 O C:THR267 3.5 29.6 1.0 CB C:ASN270 3.5 15.8 1.0 CE1 C:TYR229 3.6 14.6 1.0 CZ C:TYR229 3.8 17.0 1.0 CG C:GLN394 4.0 13.1 1.0 CA C:ASN270 4.0 16.8 1.0 CA C:GLN269 4.0 24.1 1.0 C C:GLN269 4.1 21.5 1.0 CD C:GLN394 4.1 15.7 1.0 CB C:GLN269 4.1 27.0 1.0 CA C:PHE268 4.1 24.2 1.0 C C:PHE268 4.2 24.5 1.0 C32 C:B120 4.4 12.0 1.0 C C:THR267 4.5 29.9 1.0 CB C:ASP398 4.5 15.3 1.0 O34 C:B120 4.6 14.4 1.0 O C:HOH909 4.6 20.8 1.0 CD1 C:TYR229 4.7 13.2 1.0 CG C:ASP398 4.7 18.6 1.0 OD2 C:ASP398 4.8 21.7 1.0 CG C:MET273 4.8 11.8 1.0 N C:PHE268 4.8 27.4 1.0 CE2 C:TYR229 4.9 15.0 1.0 CB C:MET273 4.9 11.3 1.0 CG C:GLN269 4.9 32.1 1.0 CG C:ASN270 4.9 14.7 1.0

Chlorine binding site 4 out of 4 in the Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Cobalamin-Complexed Bovine Transcobalamin in Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl903 b:24.7 occ:1.00 N D:ASN270 3.2 17.3 1.0 NE2 D:GLN394 3.2 14.0 1.0 N33 D:B120 3.3 17.7 1.0 N D:GLN269 3.3 23.1 1.0 OH D:TYR229 3.5 18.4 1.0 O D:THR267 3.5 29.0 1.0 CB D:ASN270 3.5 15.3 1.0 CE1 D:TYR229 3.7 14.7 1.0 CZ D:TYR229 3.8 16.8 1.0 CG D:GLN394 4.0 13.2 1.0 CA D:ASN270 4.0 15.8 1.0 CA D:GLN269 4.0 22.7 1.0 C D:GLN269 4.1 20.2 1.0 CD D:GLN394 4.1 15.7 1.0 CA D:PHE268 4.2 23.6 1.0 CB D:GLN269 4.2 25.4 1.0 C D:PHE268 4.2 23.4 1.0 C32 D:B120 4.4 14.1 1.0 CB D:ASP398 4.5 14.4 1.0 C D:THR267 4.6 29.2 1.0 O34 D:B120 4.6 16.2 1.0 O D:HOH904 4.6 18.8 1.0 CG D:ASP398 4.7 17.4 1.0 CD1 D:TYR229 4.7 13.8 1.0 CG D:MET273 4.8 12.4 1.0 OD2 D:ASP398 4.8 20.4 1.0 CE2 D:TYR229 4.8 15.0 1.0 CB D:MET273 4.9 11.4 1.0 N D:PHE268 4.9 26.8 1.0 CG D:GLN269 4.9 30.2 1.0 CG D:ASN270 4.9 14.3 1.0

J.Wuerges, G.Garau, S.Geremia, S.N.Fedosov, T.E.Petersen, L.Randaccio. Structural Basis For Mammalian Vitamin B12 Transport By Transcobalamin. Proc.Natl.Acad.Sci.Usa V. 103 4386 2006.
ISSN: ISSN 0027-8424
PubMed: 16537422
DOI: 10.1073/PNAS.0509099103