Chlorine in PDB 4fuy: Crystal Structure of the ERK2 Complexed with EK2

All present enzymatic activity of Crystal Structure of the ERK2 Complexed with EK2:
2.7.11.24;

The structure of Crystal Structure of the ERK2 Complexed with EK2, PDB code: 4fuy was solved by Y.N.Kang, J.A.Stuckey, X.Xie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.49 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.720, 70.110, 60.670, 90.00, 109.08, 90.00
R / Rfree (%)	18.9 / 21.7

The binding sites of Chlorine atom in the Crystal Structure of the ERK2 Complexed with EK2 (pdb code 4fuy). 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 the ERK2 Complexed with EK2, PDB code: 4fuy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the ERK2 Complexed with EK2


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 the ERK2 Complexed with EK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:29.4 occ:1.00 CL2 A:EK2401 0.0 29.4 1.0 C5 A:EK2401 1.7 31.3 1.0 C4 A:EK2401 2.7 30.9 1.0 C6 A:EK2401 2.7 35.1 1.0 H5 A:EK2401 2.8 34.7 0.0 H4 A:EK2401 2.9 30.6 0.0 O A:ALA50 3.1 28.3 1.0 O A:ILE101 3.2 29.3 1.0 C A:ALA50 3.3 30.6 1.0 N A:LYS52 3.5 26.4 1.0 N A:ILE51 3.6 26.9 1.0 CA A:ILE51 3.6 26.3 1.0 CG A:GLN103 3.6 22.0 1.0 CB A:GLN103 3.7 23.9 1.0 N A:GLN103 3.7 23.7 1.0 OE1 A:GLN103 3.7 34.5 1.0 C A:ILE51 3.8 31.0 1.0 CD A:GLN103 3.8 38.7 1.0 CB A:ALA50 3.8 27.8 1.0 C1 A:EK2401 4.0 40.1 1.0 C3 A:EK2401 4.0 33.3 1.0 C A:ILE101 4.1 27.4 1.0 CA A:ALA50 4.2 27.8 1.0 C A:VAL102 4.2 27.0 1.0 CB A:LYS52 4.3 28.8 1.0 CA A:GLN103 4.3 23.7 1.0 H8 A:EK2401 4.3 27.1 0.0 CA A:VAL102 4.3 22.5 1.0 CA A:LYS52 4.4 26.3 1.0 C2 A:EK2401 4.5 35.6 1.0 NE2 A:GLN103 4.6 27.1 1.0 O A:ILE51 4.6 30.5 1.0 N A:VAL102 4.6 22.8 1.0 C13 A:EK2401 4.7 27.7 1.0 H2 A:EK2401 4.9 27.2 0.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the ERK2 Complexed with EK2


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 the ERK2 Complexed with EK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:48.8 occ:1.00 CL1 A:EK2401 0.0 48.8 1.0 C1 A:EK2401 1.7 40.1 1.0 C2 A:EK2401 2.7 35.6 1.0 C6 A:EK2401 2.7 35.1 1.0 H3 A:EK2401 2.8 35.2 0.0 H5 A:EK2401 2.9 34.7 0.0 CE A:LYS52 3.6 63.2 1.0 NZ A:LYS52 3.6 71.5 1.0 O A:HOH555 3.7 25.4 1.0 OE1 A:GLU69 3.9 58.2 1.0 NE2 A:GLN103 3.9 27.1 1.0 CD A:GLU69 3.9 54.6 1.0 C5 A:EK2401 4.0 31.3 1.0 C3 A:EK2401 4.0 33.3 1.0 CD1 A:ILE101 4.0 33.0 1.0 CG2 A:ILE101 4.2 25.0 1.0 OE2 A:GLU69 4.2 33.6 1.0 O A:HOH659 4.3 42.8 1.0 CD A:LYS52 4.4 54.0 1.0 CG A:GLU69 4.4 40.9 1.0 C4 A:EK2401 4.5 30.9 1.0 CB A:ILE101 4.5 25.5 1.0 CD1 A:LEU73 4.6 25.6 1.0 CD A:GLN103 4.7 38.7 1.0 CB A:LYS52 4.8 28.8 1.0 CG1 A:ILE101 4.9 26.3 1.0

Y.N.Kang, J.A.Stuckey, X.Xie. Crystal Structure of the ERK2 Complexed with EK2 To Be Published.