Bromine in PDB 6puu: Human TRPM2 Bound to 8-Br-Cadpr and Calcium

The structure of Human TRPM2 Bound to 8-Br-Cadpr and Calcium also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Bromine atom in the Human TRPM2 Bound to 8-Br-Cadpr and Calcium (pdb code 6puu). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Human TRPM2 Bound to 8-Br-Cadpr and Calcium, PDB code: 6puu:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Human TRPM2 Bound to 8-Br-Cadpr and Calcium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human TRPM2 Bound to 8-Br-Cadpr and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1601 b:0.9 occ:1.00 BR1 A:CV11601 0.0 0.9 1.0 C8 A:CV11601 1.9 0.9 1.0 N7 A:CV11601 2.8 0.9 1.0 N9 A:CV11601 2.9 0.9 1.0 C1' A:CV11601 3.3 0.9 1.0 OH A:TYR295 3.5 0.9 1.0 CZ A:TYR295 3.5 0.9 1.0 O4' A:CV11601 3.6 0.9 1.0 CE2 A:TYR295 3.8 0.9 1.0 C5 A:CV11601 3.9 0.9 1.0 CE1 A:TYR295 3.9 0.9 1.0 C4 A:CV11601 4.0 0.9 1.0 CG2 A:THR275 4.5 0.6 1.0 CD2 A:TYR295 4.5 0.9 1.0 CD1 A:TYR295 4.6 0.9 1.0 C2' A:CV11601 4.8 0.9 1.0 CB A:THR275 4.8 0.6 1.0 CG A:TYR295 4.9 0.9 1.0 CG2 A:THR212 4.9 0.3 1.0 O A:ASN273 4.9 0.1 1.0

Bromine binding site 2 out of 4 in the Human TRPM2 Bound to 8-Br-Cadpr and Calcium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Human TRPM2 Bound to 8-Br-Cadpr and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1601 b:0.9 occ:1.00 BR1 B:CV11601 0.0 0.9 1.0 C8 B:CV11601 1.9 0.9 1.0 N7 B:CV11601 2.8 0.9 1.0 N9 B:CV11601 2.9 0.9 1.0 C1' B:CV11601 3.3 0.9 1.0 OH B:TYR295 3.5 0.9 1.0 CZ B:TYR295 3.5 0.9 1.0 O4' B:CV11601 3.6 0.9 1.0 CE2 B:TYR295 3.8 0.9 1.0 C5 B:CV11601 3.9 0.9 1.0 CE1 B:TYR295 3.9 0.9 1.0 C4 B:CV11601 4.0 0.9 1.0 CG2 B:THR275 4.5 0.6 1.0 CD2 B:TYR295 4.5 0.9 1.0 CD1 B:TYR295 4.6 0.9 1.0 C2' B:CV11601 4.8 0.9 1.0 CB B:THR275 4.8 0.6 1.0 CG B:TYR295 4.9 0.9 1.0 CG2 B:THR212 4.9 0.3 1.0 O B:ASN273 4.9 0.1 1.0

Bromine binding site 3 out of 4 in the Human TRPM2 Bound to 8-Br-Cadpr and Calcium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Human TRPM2 Bound to 8-Br-Cadpr and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ C:Br1601 b:0.9 occ:1.00 BR1 C:CV11601 0.0 0.9 1.0 C8 C:CV11601 1.9 0.9 1.0 N7 C:CV11601 2.8 0.9 1.0 N9 C:CV11601 2.9 0.9 1.0 C1' C:CV11601 3.3 0.9 1.0 OH C:TYR295 3.5 0.9 1.0 CZ C:TYR295 3.5 0.9 1.0 O4' C:CV11601 3.6 0.9 1.0 CE2 C:TYR295 3.8 0.9 1.0 C5 C:CV11601 3.9 0.9 1.0 CE1 C:TYR295 3.9 0.9 1.0 C4 C:CV11601 4.0 0.9 1.0 CG2 C:THR275 4.5 0.6 1.0 CD2 C:TYR295 4.5 0.9 1.0 CD1 C:TYR295 4.6 0.9 1.0 C2' C:CV11601 4.8 0.9 1.0 CB C:THR275 4.8 0.6 1.0 CG C:TYR295 4.9 0.9 1.0 CG2 C:THR212 4.9 0.3 1.0 O C:ASN273 4.9 0.1 1.0

Bromine binding site 4 out of 4 in the Human TRPM2 Bound to 8-Br-Cadpr and Calcium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Human TRPM2 Bound to 8-Br-Cadpr and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ D:Br1601 b:0.9 occ:1.00 BR1 D:CV11601 0.0 0.9 1.0 C8 D:CV11601 1.9 0.9 1.0 N7 D:CV11601 2.8 0.9 1.0 N9 D:CV11601 2.9 0.9 1.0 C1' D:CV11601 3.3 0.9 1.0 OH D:TYR295 3.5 0.9 1.0 CZ D:TYR295 3.5 0.9 1.0 O4' D:CV11601 3.6 0.9 1.0 CE2 D:TYR295 3.8 0.9 1.0 C5 D:CV11601 3.9 0.9 1.0 CE1 D:TYR295 3.9 0.9 1.0 C4 D:CV11601 4.0 0.9 1.0 CG2 D:THR275 4.5 0.6 1.0 CD2 D:TYR295 4.5 0.9 1.0 CD1 D:TYR295 4.6 0.9 1.0 C2' D:CV11601 4.8 0.9 1.0 CB D:THR275 4.8 0.6 1.0 CG D:TYR295 4.9 0.9 1.0 CG2 D:THR212 4.9 0.3 1.0 O D:ASN273 4.9 0.1 1.0

Y.Huang, B.Roth, W.Lu, J.Du. Ligand Recognition and Gating Mechanism Through Three Ligand-Binding Sites of Human TRPM2 Channel. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 31513012
DOI: 10.7554/ELIFE.50175