Chlorine in PDB 5mf0: Crystal Structure of SMAD4-MH1 Bound to the Ggccg Site.

The structure of Crystal Structure of SMAD4-MH1 Bound to the Ggccg Site., PDB code: 5mf0 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)	28.25 / 3.03
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	101.520, 101.520, 45.780, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 27

The structure of Crystal Structure of SMAD4-MH1 Bound to the Ggccg 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 Ggccg Site. (pdb code 5mf0). 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 SMAD4-MH1 Bound to the Ggccg Site., PDB code: 5mf0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of SMAD4-MH1 Bound to the Ggccg 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 Ggccg Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:0.2 occ:1.00 CG A:ASP120 3.4 80.2 1.0 OD2 A:ASP120 3.5 88.2 1.0 ND1 A:HIS111 3.5 74.8 1.0 CE2 A:TYR133 3.6 57.6 1.0 OD1 A:ASP120 3.7 80.9 1.0 N A:HIS111 3.7 69.2 1.0 CB A:ASP120 3.8 66.5 1.0 CD2 A:TYR133 3.9 56.7 1.0 CB A:HIS111 4.0 69.8 1.0 N A:ASP120 4.2 63.8 1.0 O A:LEU109 4.2 74.2 1.0 CG A:HIS111 4.2 73.1 1.0 CA A:HIS111 4.4 69.0 1.0 C A:LYS110 4.5 73.2 1.0 CA A:LYS110 4.5 70.0 1.0 CE1 A:HIS111 4.6 74.1 1.0 CA A:ASP120 4.6 64.3 1.0 C A:LEU109 4.7 74.3 1.0 CB A:ALA118 4.7 57.4 1.0 CZ A:TYR133 4.8 64.8 1.0 N A:PHE119 4.8 59.8 1.0 CD2 A:HIS92 4.8 65.4 1.0 N A:LYS110 4.9 70.3 1.0 NE2 A:HIS92 4.9 65.1 1.0 CB A:PHE119 4.9 62.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of SMAD4-MH1 Bound to the Ggccg Site.


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 SMAD4-MH1 Bound to the Ggccg Site. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:0.0 occ:1.00 ND1 B:HIS111 3.3 75.6 1.0 CG B:ASP120 3.4 81.8 1.0 OD2 B:ASP120 3.5 88.9 1.0 CE1 B:TYR133 3.6 59.6 1.0 OD1 B:ASP120 3.6 83.3 1.0 CB B:ASP120 3.7 66.9 1.0 N B:HIS111 3.9 69.9 1.0 N B:ASP120 3.9 64.0 1.0 CB B:HIS111 3.9 70.4 1.0 CD1 B:TYR133 4.0 58.6 1.0 CG B:HIS111 4.1 73.8 1.0 O B:LEU109 4.3 75.6 1.0 CA B:ASP120 4.4 64.6 1.0 CE1 B:HIS111 4.4 74.8 1.0 CA B:HIS111 4.5 69.6 1.0 CB B:ALA118 4.5 55.1 1.0 N B:PHE119 4.5 58.3 1.0 CZ B:TYR133 4.7 65.8 1.0 CB B:PHE119 4.7 61.1 1.0 C B:LYS110 4.7 74.1 1.0 CA B:LYS110 4.8 71.2 1.0 CD2 B:HIS92 4.9 62.3 1.0 C B:PHE119 4.9 65.3 1.0 C B:LEU109 4.9 76.0 1.0 OH B:TYR133 4.9 67.5 1.0 CA B:PHE119 4.9 59.3 1.0 NE2 B:HIS92 5.0 62.0 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