Chlorine in PDB 1nc2: Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota

The structure of Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota, PDB code: 1nc2 was solved by T.M.Corneillie, A.J.Fisher, C.F.Meares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.20 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.335, 81.300, 160.923, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.7

The structure of Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota also contains other interesting chemical elements:

Yttrium

(Y)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota (pdb code 1nc2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota, PDB code: 1nc2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota


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 Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:65.0 occ:1.00 O A:HOH520 2.7 32.3 1.0 C6 B:DOE500 3.8 22.7 1.0 C8 B:DOE500 3.8 23.1 1.0 C4 B:DOE500 4.0 19.2 1.0 C2 B:DOE500 4.2 23.3 1.0 C7 B:DOE500 4.3 22.9 1.0 C5 B:DOE500 4.5 18.3 1.0 C17 B:DOE500 4.6 34.1 1.0 C3 B:DOE500 4.7 20.5 1.0 N4 B:DOE500 4.7 24.6 1.0 C1 B:DOE500 4.7 26.3 1.0 N1 B:DOE500 4.8 25.7 1.0 N3 B:DOE500 4.8 16.7 1.0 N2 B:DOE500 4.9 19.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota


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 Monoclonal Antibody 2D12.5 Fab Complexed with Y- Dota within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:45.8 occ:1.00 C8 D:DOE501 3.7 21.6 1.0 C6 D:DOE501 3.7 18.8 1.0 C4 D:DOE501 3.9 17.3 1.0 C2 D:DOE501 4.1 20.7 1.0 O C:HOH604 4.2 46.9 1.0 C7 D:DOE501 4.2 22.4 1.0 C5 D:DOE501 4.3 17.3 1.0 C3 D:DOE501 4.5 20.9 1.0 N4 D:DOE501 4.6 21.8 1.0 N1 D:DOE501 4.7 22.9 1.0 N3 D:DOE501 4.7 15.8 1.0 C1 D:DOE501 4.7 24.8 1.0 N2 D:DOE501 4.8 21.2 1.0 C17 D:DOE501 4.8 31.1 1.0

T.M.Corneillie, A.J.Fisher, C.F.Meares. Crystal Structures of Two Complexes of the Rare-Earth-Dota-Binding Antibody 2D12.5: Ligand Generality From A Chiral System. J.Am.Chem.Soc. V. 125 15039 2003.
ISSN: ISSN 0002-7863
PubMed: 14653738
DOI: 10.1021/JA037236Y