Chlorine in PDB 5mez: Crystal Structure of SMAD4-MH1 Bound to the Ggct Site.

The structure of Crystal Structure of SMAD4-MH1 Bound to the Ggct Site., PDB code: 5mez was solved by Z.Kaczmarska, R.Freier, J.A.Marquez, M.J.Macias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.05 / 2.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.790, 79.060, 114.160, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.2

The structure of Crystal Structure of SMAD4-MH1 Bound to the Ggct Site. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of SMAD4-MH1 Bound to the Ggct Site. (pdb code 5mez). 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 Crystal Structure of SMAD4-MH1 Bound to the Ggct Site., PDB code: 5mez:

Chlorine binding site 1 out of 1 in the Crystal Structure of SMAD4-MH1 Bound to the Ggct Site.


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 SMAD4-MH1 Bound to the Ggct Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:68.9 occ:1.00 N A:GLY29 3.1 64.2 1.0 CD2 A:LEU98 3.4 65.1 1.0 N A:GLY30 3.4 65.1 1.0 NH1 A:ARG27 3.4 63.4 1.0 N A:GLU31 3.5 66.9 1.0 CA A:GLY29 3.5 63.5 1.0 CB A:ARG27 3.6 59.8 1.0 C A:GLY29 3.7 68.1 1.0 N A:GLN28 3.8 62.3 1.0 CG A:ARG27 3.8 71.4 1.0 CD A:ARG27 3.9 75.9 1.0 O A:GLU31 4.0 66.8 1.0 O A:LEU98 4.1 60.8 1.0 C A:GLN28 4.1 68.5 1.0 CB A:GLU31 4.1 69.2 1.0 CA A:GLU31 4.2 67.3 1.0 C A:ARG27 4.2 64.5 1.0 CA A:ARG27 4.3 60.6 1.0 CA A:GLY30 4.3 64.8 1.0 C A:GLY30 4.4 70.1 1.0 CA A:LEU98 4.4 55.9 1.0 C A:GLU31 4.4 67.6 1.0 CA A:GLN28 4.5 62.5 1.0 CZ A:ARG27 4.5 88.1 1.0 CB A:ALA36 4.5 65.0 1.0 NE A:ARG27 4.7 75.1 1.0 CG A:GLU31 4.7 80.1 1.0 O A:GLY29 4.7 68.7 1.0 C A:LEU98 4.7 60.9 1.0 CG A:LEU98 4.7 60.6 1.0

P.Martin-Malpartida, M.Batet, Z.Kaczmarska, R.Freier, T.Gomes, E.Aragon, Y.Zou, Q.Wang, Q.Xi, L.Ruiz, A.Vea, J.A.Marquez, J.Massague, M.J.Macias. Structural Basis For Genome Wide Recognition of 5-Bp Gc Motifs By Smad Transcription Factors. Nat Commun V. 8 2070 2017.
ISSN: ESSN 2041-1723
PubMed: 29234012
DOI: 10.1038/S41467-017-02054-6