Chlorine in PDB 3uc7: Trp-Cage Cyclo-TC1 - Monoclinic Crystal Form

The structure of Trp-Cage Cyclo-TC1 - Monoclinic Crystal Form, PDB code: 3uc7 was solved by M.Scian, I.Le Trong, R.E.Stenkamp, N.H.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.39 / 1.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.697, 48.748, 35.259, 90.00, 116.91, 90.00
R / Rfree (%)	14.9 / 19.4

The binding sites of Chlorine atom in the Trp-Cage Cyclo-TC1 - Monoclinic Crystal Form (pdb code 3uc7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Trp-Cage Cyclo-TC1 - Monoclinic Crystal Form, PDB code: 3uc7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Trp-Cage Cyclo-TC1 - 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 Trp-Cage Cyclo-TC1 - Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:25.9 occ:1.00 OG B:SER13 3.4 19.3 0.5 CA B:GLY10 4.3 12.5 1.0 O B:SER13 4.4 19.1 1.0 CB B:SER13 4.5 19.6 0.5 CB B:SER13 4.7 17.8 0.5 O B:ASP9 4.7 17.6 1.0 C B:SER13 4.8 15.9 1.0 O D:PRO12 5.0 19.1 1.0

Chlorine binding site 2 out of 2 in the Trp-Cage Cyclo-TC1 - 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 Trp-Cage Cyclo-TC1 - Monoclinic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:13.8 occ:1.00 O D:HOH367 3.1 14.3 1.0 N D:GLY-1 3.2 13.8 1.0 CA D:GLY-1 4.0 12.9 1.0 CA D:GLY21 4.0 12.6 1.0 C D:GLY21 4.1 12.7 1.0 CG F:PRO18 4.3 18.3 1.0 CB F:PRO18 4.8 17.2 1.0 O F:HOH396 4.9 36.3 1.0 O D:HOH366 5.0 13.4 1.0 O D:SER20 5.0 16.5 1.0

M.Scian, J.C.Lin, I.Le Trong, G.I.Makhatadze, R.E.Stenkamp, N.H.Andersen. Crystal and uc(Nmr) Structures of A Trp-Cage Mini-Protein Benchmark For Computational Fold Prediction. Proc.Natl.Acad.Sci.Usa V. 109 12521 2012.
ISSN: ISSN 0027-8424
PubMed: 22802678
DOI: 10.1073/PNAS.1121421109