Chlorine in PDB 2v3n: Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin

The structure of Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin, PDB code: 2v3n was solved by J.Wuerges, S.Geremia, L.Randaccio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.70 / 2.73
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.830, 100.830, 130.215, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 25.1

The structure of Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin (pdb code 2v3n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin, PDB code: 2v3n:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1416 b:32.6 occ:1.00 N A:GLN269 3.1 37.2 1.0 N A:ASN270 3.2 35.1 1.0 NE2 A:GLN394 3.2 26.7 1.0 O A:THR267 3.4 40.9 1.0 N33 A:B121001 3.5 33.9 1.0 OH A:TYR229 3.5 33.9 1.0 CB A:ASN270 3.6 34.2 1.0 CE1 A:TYR229 3.7 33.9 1.0 CZ A:TYR229 3.8 33.7 1.0 CA A:GLN269 3.9 36.9 1.0 CB A:GLN269 3.9 37.0 1.0 CA A:ASN270 4.0 34.1 1.0 C A:GLN269 4.0 36.1 1.0 C A:PHE268 4.1 38.0 1.0 CA A:PHE268 4.1 38.4 1.0 CG A:GLN394 4.1 28.1 1.0 CD A:GLN394 4.1 27.7 1.0 CB A:ASP398 4.4 34.3 1.0 CG A:GLN269 4.5 40.0 1.0 C A:THR267 4.5 41.3 1.0 C32 A:B121001 4.5 34.4 1.0 O A:HOH2169 4.5 28.1 1.0 O34 A:B121001 4.6 34.6 1.0 CG A:ASP398 4.7 35.6 1.0 CD1 A:TYR229 4.7 34.5 1.0 CG A:MET273 4.7 32.8 1.0 N A:PHE268 4.8 39.7 1.0 CG A:ASN270 4.9 33.7 1.0 CE2 A:TYR229 4.9 31.3 1.0 CB A:MET273 4.9 32.5 1.0 OD2 A:ASP398 4.9 35.7 1.0

Chlorine binding site 2 out of 3 in the Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1417 b:36.2 occ:1.00 OG A:SER370 3.0 28.6 1.0 N A:GLY373 3.0 30.3 1.0 NH1 A:ARG356 3.2 51.5 1.0 CA A:GLY373 3.6 31.2 1.0 NE A:ARG358 3.6 50.6 1.0 N A:LEU372 3.7 29.6 1.0 CZ A:ARG356 3.7 51.6 1.0 CA A:PHE357 3.7 36.2 1.0 O A:SER370 3.8 28.6 1.0 CB A:SER370 3.8 28.8 1.0 C A:SER370 3.8 28.7 1.0 O A:ARG356 3.9 37.1 1.0 C A:PHE357 3.9 36.6 1.0 N A:PHE357 3.9 36.5 1.0 C A:VAL371 3.9 29.5 1.0 N A:VAL371 3.9 29.1 1.0 N A:ARG358 4.0 36.8 1.0 CG A:ARG356 4.0 40.2 1.0 C A:ARG356 4.0 37.1 1.0 NH2 A:ARG356 4.0 52.3 1.0 CA A:VAL371 4.1 29.2 1.0 C A:LEU372 4.1 29.7 1.0 CG A:ARG358 4.1 39.5 1.0 NH2 A:ARG358 4.2 53.3 1.0 CA A:LEU372 4.3 29.4 1.0 NE A:ARG356 4.3 49.9 1.0 CZ A:ARG358 4.4 53.1 1.0 CB A:ARG358 4.4 37.0 1.0 C A:GLY373 4.4 31.9 1.0 CD A:ARG358 4.5 45.5 1.0 CA A:SER370 4.5 28.6 1.0 N A:ARG374 4.6 32.7 1.0 O A:PHE357 4.6 36.8 1.0 O A:VAL371 4.6 29.1 1.0 CD A:ARG356 4.7 46.0 1.0 CB A:ARG356 4.8 38.0 1.0 CA A:ARG358 4.8 36.8 1.0

Chlorine binding site 3 out of 3 in the Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystallographic Analysis of Upper Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1418 b:69.7 occ:1.00 O A:HOH2034 2.9 98.0 1.0 NE A:ARG108 3.3 43.0 1.0 NH2 A:ARG108 3.4 44.0 1.0 NE2 A:GLN112 3.5 36.4 1.0 O A:ARG108 3.8 37.6 1.0 CZ A:ARG108 3.8 44.3 1.0 CG A:GLN112 3.9 34.8 1.0 CB A:ARG108 4.0 37.3 1.0 NH1 A:ARG115 4.2 54.2 1.0 CD A:GLN112 4.2 36.3 1.0 CG A:ARG108 4.3 37.5 1.0 CA A:ARG108 4.3 37.5 1.0 C A:ARG108 4.4 37.3 1.0 CD A:ARG108 4.4 38.3 1.0 O A:HOH2042 4.4 50.5 1.0 CD2 A:LEU67 5.0 62.1 1.0

J.Wuerges, S.Geremia, S.N.Fedosov, L.Randaccio. Vitamin B12 Transport Proteins: Crystallographic Analysis of Beta-Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin. Iubmb Life V. 59 722 2007.
ISSN: ISSN 1521-6543
PubMed: 17943552
DOI: 10.1080/15216540701673413