Chlorine in PDB 1sm3: Crystal Structure of the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope

The structure of Crystal Structure of the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope, PDB code: 1sm3 was solved by P.Dokurno, P.A.Bates, H.A.Band, L.M.D.Stewart, J.M.Lally, J.M.Burchell, J.Taylor-Papadimitriou, M.J.E.Sternberg, D.Snary, P.S.Freemont, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.200, 83.730, 67.240, 90.00, 93.30, 90.00
R / Rfree (%)	21.3 / 28.3

The structure of Crystal Structure of the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope also contains other interesting chemical elements:

Cadmium

(Cd)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope (pdb code 1sm3). 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 the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope, PDB code: 1sm3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope


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 the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl219 b:22.1 occ:1.00 CD H:CD216 2.6 25.1 1.0 O H:HOH285 3.2 17.2 1.0 O H:HOH308 3.5 11.8 1.0 OE1 H:GLU191 3.8 31.1 1.0 O H:HOH365 4.5 37.2 1.0 CD H:GLU191 4.8 28.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope


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 the Tumor Specific Antibody SM3 Complex with Its Peptide Epitope within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl220 b:26.9 occ:1.00 CD H:CD217 2.5 17.7 1.0 O L:HOH360 3.1 29.4 1.0 O H:HOH373 3.4 7.5 1.0 NE2 H:HIS58 3.5 10.0 1.0 NH2 H:ARG52 4.0 11.5 1.0 CE1 H:HIS58 4.1 8.7 1.0 O P:HOH80 4.4 15.9 1.0 CD2 H:HIS58 4.6 7.3 1.0 CZ H:ARG52 4.7 13.0 1.0 O H:HOH348 4.8 26.2 1.0 CB P:SER2 4.8 23.8 1.0 CB L:ASN94 4.8 18.1 1.0 NH1 H:ARG52 4.8 14.7 1.0

P.Dokurno, P.A.Bates, H.A.Band, L.M.Stewart, J.M.Lally, J.M.Burchell, J.Taylor-Papadimitriou, D.Snary, M.J.Sternberg, P.S.Freemont. Crystal Structure at 1.95 A Resolution of the Breast Tumour-Specific Antibody SM3 Complexed with Its Peptide Epitope Reveals Novel Hypervariable Loop Recognition. J.Mol.Biol. V. 284 713 1998.
ISSN: ISSN 0022-2836
PubMed: 9826510
DOI: 10.1006/JMBI.1998.2209