Chlorine in PDB 8w2l: TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State

All present enzymatic activity of TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State:
2.7.11.1;

The structure of TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State (pdb code 8w2l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State, PDB code: 8w2l:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1312 b:36.5 occ:1.00 CL1 A:M051312 0.0 36.5 1.0 C12 A:M051312 1.7 36.5 1.0 C11 A:M051312 2.7 36.5 1.0 C14 A:M051312 2.7 36.5 1.0 CD2 A:PHE1118 3.5 22.2 1.0 CG A:PHE1118 3.7 22.2 1.0 CG A:ARG1115 3.8 23.9 1.0 CA A:VAL982 3.9 23.4 1.0 CB A:PHE1118 4.0 22.2 1.0 C15 A:M051312 4.0 36.5 1.0 C10 A:M051312 4.0 36.5 1.0 CE2 A:PHE1118 4.0 22.2 1.0 CA A:ARG1115 4.0 23.9 1.0 NE1 A:TRP1111 4.1 36.5 1.0 O A:ALA981 4.2 22.0 1.0 CB A:ARG1115 4.3 23.9 1.0 CZ2 A:TRP1111 4.4 36.5 1.0 CG2 A:VAL982 4.4 23.4 1.0 CE2 A:TRP1111 4.4 36.5 1.0 CD1 A:PHE1118 4.4 22.2 1.0 C9 A:M051312 4.5 36.5 1.0 CB A:VAL982 4.6 23.4 1.0 O A:VAL982 4.6 23.4 1.0 N A:VAL982 4.6 23.4 1.0 CZ A:PHE1118 4.7 22.2 1.0 N A:ARG1115 4.7 23.9 1.0 C A:VAL982 4.7 23.4 1.0 C A:ALA981 4.7 22.0 1.0 CG1 A:VAL982 4.7 23.4 1.0 CD A:ARG1115 4.8 23.9 1.0 CE1 A:PHE1118 4.9 22.2 1.0 O A:GLN1114 4.9 23.8 1.0 NE A:ARG1115 5.0 23.9 1.0

Chlorine binding site 2 out of 4 in the TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1314 b:31.6 occ:1.00 CL1 B:M051314 0.0 31.6 1.0 C12 B:M051314 1.7 31.6 1.0 C14 B:M051314 2.7 31.6 1.0 C11 B:M051314 2.7 31.6 1.0 CD2 B:PHE1118 3.4 32.4 1.0 CG B:PHE1118 3.6 32.4 1.0 CG B:ARG1115 3.7 30.7 1.0 CB B:PHE1118 3.8 32.4 1.0 CA B:ARG1115 3.9 30.7 1.0 CE2 B:PHE1118 3.9 32.4 1.0 C10 B:M051314 4.0 31.6 1.0 C15 B:M051314 4.0 31.6 1.0 CA B:VAL982 4.1 30.1 1.0 CB B:ARG1115 4.2 30.7 1.0 NE1 B:TRP1111 4.2 25.6 1.0 O B:ALA981 4.3 27.1 1.0 CD1 B:PHE1118 4.4 32.4 1.0 CZ2 B:TRP1111 4.5 25.6 1.0 CG2 B:VAL982 4.5 30.1 1.0 C9 B:M051314 4.5 31.6 1.0 CE2 B:TRP1111 4.5 25.6 1.0 N B:ARG1115 4.5 30.7 1.0 CZ B:PHE1118 4.6 32.4 1.0 CB B:VAL982 4.7 30.1 1.0 O B:VAL982 4.7 30.1 1.0 N B:VAL982 4.8 30.1 1.0 O B:GLN1114 4.8 29.7 1.0 CD B:ARG1115 4.8 30.7 1.0 CE1 B:PHE1118 4.8 32.4 1.0 CG1 B:VAL982 4.8 30.1 1.0 C B:VAL982 4.9 30.1 1.0 C B:ALA981 4.9 27.1 1.0 O B:ARG1115 4.9 30.7 1.0 C B:ARG1115 4.9 30.7 1.0 NE B:ARG1115 5.0 30.7 1.0 C B:GLN1114 5.0 29.7 1.0

Chlorine binding site 3 out of 4 in the TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1314 b:34.5 occ:1.00 CL1 C:M051314 0.0 34.5 1.0 C12 C:M051314 1.7 34.5 1.0 C14 C:M051314 2.7 34.5 1.0 C11 C:M051314 2.7 34.5 1.0 CD2 C:PHE1118 3.3 20.1 1.0 CG C:PHE1118 3.6 20.1 1.0 CG C:ARG1115 3.7 21.2 1.0 CB C:PHE1118 3.8 20.1 1.0 CA C:ARG1115 3.9 21.2 1.0 CE2 C:PHE1118 3.9 20.1 1.0 C15 C:M051314 4.0 34.5 1.0 C10 C:M051314 4.0 34.5 1.0 CA C:VAL982 4.1 20.1 1.0 CB C:ARG1115 4.2 21.2 1.0 NE1 C:TRP1111 4.3 34.5 1.0 CD1 C:PHE1118 4.3 20.1 1.0 O C:ALA981 4.4 19.4 1.0 CG2 C:VAL982 4.5 20.1 1.0 CZ2 C:TRP1111 4.5 34.5 1.0 C9 C:M051314 4.5 34.5 1.0 N C:ARG1115 4.5 21.2 1.0 CE2 C:TRP1111 4.6 34.5 1.0 CZ C:PHE1118 4.6 20.1 1.0 CB C:VAL982 4.7 20.1 1.0 O C:VAL982 4.7 20.1 1.0 O C:GLN1114 4.8 19.8 1.0 N C:VAL982 4.8 20.1 1.0 CD C:ARG1115 4.8 21.2 1.0 CE1 C:PHE1118 4.8 20.1 1.0 CG1 C:VAL982 4.8 20.1 1.0 C C:VAL982 4.9 20.1 1.0 O C:ARG1115 4.9 21.2 1.0 C C:ARG1115 4.9 21.2 1.0 C C:ALA981 4.9 19.4 1.0 NE C:ARG1115 4.9 21.2 1.0 C C:GLN1114 5.0 19.8 1.0

Chlorine binding site 4 out of 4 in the TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of TRPM7 Structure in Complex with Anticancer Agent CCT128930 in Closed State within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1316 b:34.4 occ:1.00 CL1 D:M051316 0.0 34.4 1.0 C12 D:M051316 1.7 34.4 1.0 C14 D:M051316 2.7 34.4 1.0 C11 D:M051316 2.7 34.4 1.0 CD2 D:PHE1118 3.4 18.5 1.0 CG D:PHE1118 3.6 18.5 1.0 CG D:ARG1115 3.7 20.3 1.0 CB D:PHE1118 3.8 18.5 1.0 CA D:ARG1115 3.9 20.3 1.0 CE2 D:PHE1118 3.9 18.5 1.0 C10 D:M051316 4.0 34.4 1.0 C15 D:M051316 4.0 34.4 1.0 CA D:VAL982 4.1 17.9 1.0 CB D:ARG1115 4.2 20.3 1.0 NE1 D:TRP1111 4.3 34.4 1.0 O D:ALA981 4.3 16.8 1.0 CD1 D:PHE1118 4.4 18.5 1.0 CZ2 D:TRP1111 4.5 34.4 1.0 CG2 D:VAL982 4.5 17.9 1.0 C9 D:M051316 4.5 34.4 1.0 N D:ARG1115 4.5 20.3 1.0 CE2 D:TRP1111 4.5 34.4 1.0 CZ D:PHE1118 4.6 18.5 1.0 CB D:VAL982 4.7 17.9 1.0 O D:VAL982 4.7 17.9 1.0 N D:VAL982 4.8 17.9 1.0 O D:GLN1114 4.8 18.0 1.0 CD D:ARG1115 4.8 20.3 1.0 CG1 D:VAL982 4.8 17.9 1.0 CE1 D:PHE1118 4.8 18.5 1.0 C D:VAL982 4.9 17.9 1.0 C D:ALA981 4.9 16.8 1.0 O D:ARG1115 4.9 20.3 1.0 C D:ARG1115 4.9 20.3 1.0 NE D:ARG1115 4.9 20.3 1.0

K.D.Nadezhdin, A.I.Sobolevsky. Structural Basis of Selective TRPM7 Inhibition By the Anticancer Agent CCT128930 To Be Published.