Chlorine in PDB 4fv3: Crystal Structure of the ERK2 Complexed with EK6

All present enzymatic activity of Crystal Structure of the ERK2 Complexed with EK6:
2.7.11.24;

The structure of Crystal Structure of the ERK2 Complexed with EK6, PDB code: 4fv3 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)	30.93 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.780, 70.700, 60.860, 90.00, 110.11, 90.00
R / Rfree (%)	19.1 / 23.6

The structure of Crystal Structure of the ERK2 Complexed with EK6 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the ERK2 Complexed with EK6 (pdb code 4fv3). 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 EK6, PDB code: 4fv3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the ERK2 Complexed with EK6


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 EK6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:38.4 occ:1.00 CL2 A:EK6401 0.0 38.4 1.0 C27 A:EK6401 1.7 36.4 1.0 C26 A:EK6401 2.7 34.7 1.0 C6 A:EK6401 2.8 36.6 1.0 C5 A:EK6401 3.1 37.3 0.5 C5 A:EK6401 3.2 37.2 0.5 CA A:GLY30 3.5 55.9 1.0 CG2 A:VAL37 3.5 50.5 1.0 C4 A:EK6401 3.6 39.2 0.5 C A:GLY30 3.6 60.8 1.0 CB A:VAL37 3.7 51.1 1.0 N1 A:EK6401 3.9 38.5 0.5 C3 A:EK6401 3.9 39.4 0.5 C4 A:EK6401 3.9 38.6 0.5 C9 A:EK6401 4.0 33.7 1.0 N A:GLY30 4.0 55.6 1.0 O A:GLY30 4.0 60.1 1.0 N A:GLU31 4.0 59.1 1.0 C7 A:EK6401 4.1 35.5 1.0 N1 A:EK6401 4.1 38.2 0.5 CL1 A:EK6401 4.1 54.3 1.0 O2 A:EK6401 4.1 39.5 0.5 C24 A:EK6401 4.2 48.8 1.0 O A:HOH662 4.2 33.3 1.0 C8 A:EK6401 4.5 34.5 1.0 O1 A:EK6401 4.6 39.4 0.5 N A:VAL37 4.7 48.6 1.0 C23 A:EK6401 4.7 51.9 1.0 CG1 A:VAL37 4.7 50.7 1.0 CA A:VAL37 4.8 48.1 1.0 C25 A:EK6401 4.9 31.2 1.0 CA A:GLU31 4.9 60.0 1.0 N5 A:EK6401 4.9 37.6 1.0 C A:ILE29 5.0 58.5 1.0 CG2 A:ILE29 5.0 56.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the ERK2 Complexed with EK6


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 EK6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:54.3 occ:1.00 CL1 A:EK6401 0.0 54.3 1.0 C23 A:EK6401 1.7 51.9 1.0 C24 A:EK6401 2.7 48.8 1.0 C22 A:EK6401 2.7 52.0 1.0 F A:EK6401 2.9 53.3 1.0 N A:GLY32 3.1 62.5 1.0 O A:GLY35 3.4 56.5 1.0 CA A:GLY32 3.5 62.4 1.0 C A:GLY35 3.5 57.0 1.0 CG2 A:VAL37 3.6 50.5 1.0 N A:MET36 3.8 52.2 1.0 CA A:MET36 4.0 51.5 1.0 C19 A:EK6401 4.0 46.5 1.0 C21 A:EK6401 4.0 50.5 1.0 C A:GLU31 4.0 65.4 1.0 CL2 A:EK6401 4.1 38.4 1.0 C A:MET36 4.1 53.0 1.0 N A:VAL37 4.2 48.6 1.0 CA A:GLY35 4.2 55.3 1.0 CA A:GLU31 4.3 60.0 1.0 CD A:LYS52 4.4 40.1 1.0 CG A:LYS52 4.5 38.3 1.0 C20 A:EK6401 4.5 48.4 1.0 O2 A:EK6401 4.6 39.5 0.5 C A:GLY32 4.7 67.0 1.0 N A:GLY35 4.7 56.6 1.0 O A:GLY30 4.7 60.1 1.0 O A:MET36 4.8 51.8 1.0 N A:GLU31 4.8 59.1 1.0 CB A:VAL37 4.8 51.1 1.0 C A:GLY30 5.0 60.8 1.0

Y.N.Kang, J.A.Stuckey, X.Xie. Crystal Structure of the ERK2 Complexed with EK6 To Be Published.