Arsenic in PDB 3smt: Crystal Structure of Human Set Domain-Containing PROTEIN3

All present enzymatic activity of Crystal Structure of Human Set Domain-Containing PROTEIN3:
2.1.1.43;

The structure of Crystal Structure of Human Set Domain-Containing PROTEIN3, PDB code: 3smt was solved by A.Dong, H.Zeng, J.R.Walker, P.Loppnau, C.Bountra, J.Weigelt, C.H.Arrowsmith, A.M.Edwards, J.Min, H.Wu, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.30 / 2.04
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.864, 113.864, 83.570, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 25.9

The binding sites of Arsenic atom in the Crystal Structure of Human Set Domain-Containing PROTEIN3 (pdb code 3smt). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Human Set Domain-Containing PROTEIN3, PDB code: 3smt:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Human Set Domain-Containing PROTEIN3


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Human Set Domain-Containing PROTEIN3 within 5.0Å range: probe atom residue distance (Å) B Occ A:As498 b:42.0 occ:1.00 SG A:CYS296 2.5 36.6 1.0 CB A:CYS296 3.2 31.9 1.0 CG2 A:ILE308 3.9 37.1 1.0 CB A:PHE119 4.0 27.6 1.0 O A:CYS296 4.1 31.5 1.0 CG A:LEU120 4.1 32.5 1.0 CD2 A:PHE119 4.2 29.9 1.0 C A:CYS296 4.2 32.5 1.0 CD1 A:LEU120 4.2 32.4 1.0 CA A:CYS296 4.3 30.7 1.0 CG A:PHE119 4.6 28.8 1.0 N A:LEU120 4.6 26.6 1.0 CB A:LEU120 4.7 26.7 1.0 CG2 A:ILE283 4.8 38.3 1.0 CG2 A:ILE310 4.8 31.4 1.0 N A:VAL297 4.8 27.1 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Human Set Domain-Containing PROTEIN3


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Human Set Domain-Containing PROTEIN3 within 5.0Å range: probe atom residue distance (Å) B Occ A:As499 b:61.2 occ:1.00 SG A:CYS294 2.7 39.1 0.5 CB A:CYS294 3.2 32.4 0.5 SG A:CYS294 3.6 36.8 0.5 CB A:CYS294 3.7 34.4 0.5 O A:GLY286 3.8 38.0 1.0 CA A:CYS294 3.9 31.5 0.5 CA A:CYS294 3.9 33.2 0.5 CZ2 A:TRP273 3.9 38.4 1.0 CH2 A:TRP273 4.1 40.3 1.0 C A:GLY286 4.2 39.4 1.0 CG2 A:ILE257 4.3 46.2 1.0 CD1 A:TYR287 4.3 43.1 1.0 CE2 A:TRP273 4.5 37.5 1.0 N A:GLU295 4.6 30.0 1.0 C A:CYS294 4.6 35.0 0.5 N A:TYR287 4.7 37.4 1.0 CZ3 A:TRP273 4.7 39.3 1.0 C A:CYS294 4.7 34.1 0.5 CB A:TYR287 4.7 39.3 1.0 O A:GLN256 4.8 47.2 1.0 CA A:TYR287 4.8 37.8 1.0 N A:GLY286 4.9 34.9 1.0 O A:HOH635 4.9 50.2 1.0 CA A:GLY286 4.9 35.8 1.0

H.Zeng, A.Dong, J.R.Walker, P.Loppnau, C.Bountra, J.Weigelt, C.H.Arrowsmith, A.M.Edwards, J.Min, H.Wu. Crystal Structure of Human Set Domain-Containing PROTEIN3 To Be Published.