Chlorine in PDB 6o4u: Co-Crystal Structure of MCL1 with Inhibitor

The structure of Co-Crystal Structure of MCL1 with Inhibitor, PDB code: 6o4u was solved by X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.833, 89.162, 42.721, 90.00, 106.24, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Co-Crystal Structure of MCL1 with Inhibitor (pdb code 6o4u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Co-Crystal Structure of MCL1 with Inhibitor, PDB code: 6o4u:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Co-Crystal Structure of MCL1 with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of MCL1 with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:26.6 occ:1.00 CL1 A:LMV401 0.0 26.6 1.0 C5 A:LMV401 1.7 21.4 1.0 C6 A:LMV401 2.6 21.8 1.0 C24 A:LMV401 2.8 19.7 1.0 C18 A:LMV401 3.1 18.1 1.0 C12 A:LMV401 3.5 18.3 1.0 CE A:MET231 3.7 16.9 1.0 C21 A:LMV401 3.9 21.8 1.0 CG1 A:VAL249 3.9 27.1 1.0 C23 A:LMV401 4.1 20.1 1.0 N A:MET250 4.1 18.7 1.0 CB A:VAL249 4.2 23.5 1.0 CE2 A:PHE270 4.2 16.6 1.0 CA A:MET250 4.2 19.2 1.0 CD2 A:PHE270 4.3 16.7 1.0 CD1 A:LEU235 4.4 19.6 1.0 O1 A:LMV401 4.4 16.5 1.0 C A:VAL249 4.5 20.1 1.0 N1 A:LMV401 4.5 17.4 1.0 CB A:MET250 4.5 21.3 1.0 C22 A:LMV401 4.5 21.9 1.0 O A:LEU246 4.6 19.0 1.0 CD2 A:LEU246 4.6 23.5 1.0 CG A:MET250 4.8 22.5 1.0 O A:VAL249 4.9 18.0 1.0 CG2 A:VAL253 5.0 19.5 1.0

Chlorine binding site 2 out of 4 in the Co-Crystal Structure of MCL1 with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Co-Crystal Structure of MCL1 with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:21.9 occ:1.00 CL2 A:LMV401 0.0 21.9 1.0 C21 A:LMV401 1.7 21.8 1.0 C6 A:LMV401 2.6 21.8 1.0 C22 A:LMV401 2.7 21.9 1.0 CD1 A:LEU290 3.4 22.0 1.0 CE A:MET250 3.8 23.9 1.0 CG2 A:VAL274 3.8 16.6 1.0 C5 A:LMV401 3.9 21.4 1.0 C23 A:LMV401 4.0 20.1 1.0 CD1 A:LEU246 4.0 19.7 1.0 CA A:GLY271 4.0 16.4 1.0 CD1 A:ILE294 4.1 16.1 1.0 CB A:VAL274 4.2 14.2 1.0 CG A:LEU290 4.3 20.6 1.0 CG1 A:ILE294 4.4 14.3 1.0 CD2 A:LEU290 4.4 22.1 1.0 C24 A:LMV401 4.5 19.7 1.0 CG1 A:VAL274 4.5 15.8 1.0 CD2 A:PHE270 4.6 16.7 1.0 N A:GLY271 4.7 15.6 1.0 CB A:LEU246 4.7 19.2 1.0 CG A:LEU246 4.7 20.3 1.0 SD A:MET250 4.7 24.4 1.0 CD2 A:LEU246 4.7 23.5 1.0 O A:PHE270 4.8 15.5 1.0 CE2 A:PHE270 4.9 16.6 1.0 C A:PHE270 5.0 15.0 1.0

Chlorine binding site 3 out of 4 in the Co-Crystal Structure of MCL1 with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Co-Crystal Structure of MCL1 with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:26.6 occ:1.00 CL1 B:LMV401 0.0 26.6 1.0 C5 B:LMV401 1.8 20.6 1.0 C6 B:LMV401 2.7 22.8 1.0 C24 B:LMV401 2.8 20.8 1.0 C18 B:LMV401 3.1 18.6 1.0 C12 B:LMV401 3.3 18.3 1.0 CE B:MET231 3.6 17.7 1.0 CG2 B:VAL249 3.6 23.5 1.0 CG1 B:VAL249 3.9 24.2 1.0 C21 B:LMV401 4.0 22.2 1.0 C23 B:LMV401 4.1 18.6 1.0 N B:MET250 4.2 19.6 1.0 CA B:MET250 4.3 19.9 1.0 CE2 B:PHE270 4.3 15.8 1.0 N1 B:LMV401 4.4 18.6 1.0 CB B:VAL249 4.4 21.5 1.0 CD2 B:PHE270 4.4 16.2 1.0 CD1 B:LEU235 4.5 23.1 1.0 O1 B:LMV401 4.5 18.6 1.0 CG B:MET250 4.5 24.2 1.0 C B:VAL249 4.6 19.4 1.0 CG2 B:VAL253 4.6 21.5 1.0 C22 B:LMV401 4.6 22.2 1.0 O B:LEU246 4.6 20.8 1.0 CB B:MET250 4.7 21.0 1.0 CD2 B:LEU246 4.9 24.0 1.0 C20 B:LMV401 4.9 18.2 1.0 O B:VAL249 5.0 19.8 1.0

Chlorine binding site 4 out of 4 in the Co-Crystal Structure of MCL1 with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Co-Crystal Structure of MCL1 with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:24.4 occ:1.00 CL2 B:LMV401 0.0 24.4 1.0 C21 B:LMV401 1.7 22.2 1.0 C6 B:LMV401 2.6 22.8 1.0 C22 B:LMV401 2.7 22.2 1.0 CD1 B:LEU290 3.8 24.1 1.0 C5 B:LMV401 3.9 20.6 1.0 CA B:GLY271 3.9 18.9 1.0 CE B:MET250 3.9 26.1 1.0 C23 B:LMV401 3.9 18.6 1.0 CG2 B:VAL274 4.0 18.1 1.0 CD1 B:LEU246 4.0 21.9 1.0 CD1 B:ILE294 4.1 16.7 1.0 CG B:LEU290 4.2 22.1 1.0 CD2 B:LEU290 4.3 23.5 1.0 CG1 B:ILE294 4.3 15.7 1.0 CB B:VAL274 4.4 18.3 1.0 C24 B:LMV401 4.4 20.8 1.0 N B:GLY271 4.5 17.5 1.0 CD2 B:PHE270 4.6 16.2 1.0 SD B:MET250 4.6 26.1 1.0 CG1 B:VAL274 4.7 19.1 1.0 CD2 B:LEU246 4.7 24.0 1.0 O B:PHE270 4.8 16.8 1.0 CG B:LEU246 4.8 22.5 1.0 CB B:LEU246 4.9 21.1 1.0 C B:PHE270 4.9 17.5 1.0 CE2 B:PHE270 5.0 15.8 1.0

X.Huang, X.Huang. N/A N/A.