Chlorine in PDB 5t5p: Lectin From Bauhinia Forficata in Complex with Tn-Peptide

The structure of Lectin From Bauhinia Forficata in Complex with Tn-Peptide, PDB code: 5t5p was solved by J.Lubkowski, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.54 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.686, 88.459, 110.986, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 16.3

The structure of Lectin From Bauhinia Forficata in Complex with Tn-Peptide also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Lectin From Bauhinia Forficata in Complex with Tn-Peptide (pdb code 5t5p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Lectin From Bauhinia Forficata in Complex with Tn-Peptide, PDB code: 5t5p:

Chlorine binding site 1 out of 1 in the Lectin From Bauhinia Forficata in Complex with Tn-Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lectin From Bauhinia Forficata in Complex with Tn-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:15.4 occ:1.00 NE B:ARG44 3.2 11.7 1.0 NH2 B:ARG44 3.3 11.4 1.0 CZ B:ARG44 3.7 12.2 1.0 CD B:ARG44 4.3 10.2 1.0 CD1 B:ILE41 4.4 14.7 1.0 CG2 B:ILE41 4.5 11.4 1.0 O B:HOH570 4.7 21.5 1.0

J.Lubkowski, S.V.Durbin, M.C.Silva, D.Farnsworth, J.C.Gildersleeve, M.L.Oliva, A.Wlodawer. Structural Analysis and Unique Molecular Recognition Properties of A Bauhinia Forficata Lectin That Inhibits Cancer Cell Growth. Febs J. V. 284 429 2017.
ISSN: ISSN 1742-4658
PubMed: 27973758
DOI: 10.1111/FEBS.13989