Chlorine in PDB 6yat: Crystal Structure of STK4 (MST1) in Complex with Compound 6

All present enzymatic activity of Crystal Structure of STK4 (MST1) in Complex with Compound 6:
2.7.11.1;

The structure of Crystal Structure of STK4 (MST1) in Complex with Compound 6, PDB code: 6yat was solved by A.Chaikuad, N.Bata, A.S.Limpert, L.J.Lambert, N.A.Bakas, N.D.P.Cosford, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 2.58
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.680, 111.680, 171.486, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 25.9

The binding sites of Chlorine atom in the Crystal Structure of STK4 (MST1) in Complex with Compound 6 (pdb code 6yat). 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 STK4 (MST1) in Complex with Compound 6, PDB code: 6yat:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of STK4 (MST1) in Complex with Compound 6


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 STK4 (MST1) in Complex with Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:0.8 occ:1.00 CL A:OJ5409 0.0 0.8 1.0 C A:OJ5409 1.8 73.2 1.0 C15 A:OJ5409 2.7 65.4 1.0 C1 A:OJ5409 2.7 66.9 1.0 OE2 A:GLU73 3.5 80.4 1.0 NZ A:LYS59 3.7 76.1 1.0 CD A:LYS59 3.7 71.1 1.0 SD A:MET102 4.0 66.9 1.0 C2 A:OJ5409 4.0 66.2 1.0 C4 A:OJ5409 4.0 59.4 1.0 CE A:MET102 4.1 71.2 1.0 CA A:ASP167 4.2 67.8 1.0 CE A:LYS59 4.4 74.8 1.0 OD1 A:ASP167 4.4 77.2 1.0 N A:ASP167 4.5 63.0 1.0 C3 A:OJ5409 4.5 67.1 1.0 CG2 A:VAL44 4.6 57.6 1.0 CD A:GLU73 4.6 72.6 1.0 CA A:GLY39 4.6 73.3 1.0 CB A:LYS59 4.7 65.0 1.0 CG A:ASP167 4.8 76.5 1.0 CB A:ASP167 4.8 70.6 1.0 CG A:LYS59 4.8 67.2 1.0 N A:SER40 5.0 86.8 1.0 OE1 A:GLU73 5.0 70.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of STK4 (MST1) in Complex with Compound 6


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 STK4 (MST1) in Complex with Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:0.5 occ:1.00 CL B:OJ5401 0.0 0.5 1.0 C B:OJ5401 1.7 0.3 1.0 C15 B:OJ5401 2.7 0.8 1.0 C1 B:OJ5401 2.7 0.6 1.0 C2 B:OJ5401 4.0 0.9 1.0 C4 B:OJ5401 4.0 1.0 1.0 CA B:ASP167 4.0 0.7 1.0 CG2 B:VAL44 4.1 0.7 1.0 CE B:MET102 4.2 0.5 1.0 CG B:ASP167 4.2 0.1 1.0 OD1 B:ASP167 4.3 0.5 1.0 CB B:ASP167 4.3 0.3 1.0 SD B:MET102 4.3 0.7 1.0 N B:ASP167 4.3 0.1 1.0 OE2 B:GLU73 4.3 0.4 1.0 CB B:LYS59 4.4 0.6 1.0 C3 B:OJ5401 4.5 0.1 1.0 CA B:GLY39 4.7 0.5 1.0 OD2 B:ASP167 4.7 1.0 1.0

A.Chaikuad, N.Bata, A.S.Limpert, L.J.Lambert, N.A.Bakas, N.D.P.Cosford, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of STK4 (MST1) in Complex with Compound 6 To Be Published.