Chlorine in PDB 8pvy: Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C

The structure of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C (pdb code 8pvy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C, PDB code: 8pvy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:3.0 occ:1.00 CLAR D:G1V301 0.0 3.0 1.0 CAM D:G1V301 1.7 7.3 1.0 NAI D:G1V301 2.5 0.6 1.0 CAN D:G1V301 2.7 3.3 1.0 CAL D:G1V301 2.7 8.4 1.0 CAJ D:G1V301 3.0 7.5 1.0 OAG D:G1V301 3.2 2.4 1.0 CAB D:G1V301 3.5 3.1 1.0 CE2 K:PHE140 3.7 2.8 1.0 CAF D:G1V301 3.8 4.7 1.0 CAC D:G1V301 3.9 4.0 1.0 SG K:CYS245 4.0 38.3 1.0 CAQ D:G1V301 4.0 2.8 1.0 CAO D:G1V301 4.0 6.5 1.0 OAK D:G1V301 4.0 9.4 1.0 CD2 K:PHE140 4.1 5.8 1.0 NE K:ARG137 4.4 6.5 1.0 CAA D:G1V301 4.5 7.4 1.0 CAP D:G1V301 4.5 1.4 1.0 CZ K:PHE140 4.5 2.1 1.0 CZ K:ARG137 4.7 2.8 1.0 CH2 C:TRP130 4.8 5.2 1.0 NH2 K:ARG137 4.8 7.7 1.0 CD K:ARG137 4.9 0.4 1.0 NAH D:G1V301 4.9 1.9 1.0 CBF D:G1V301 5.0 9.9 1.0

Chlorine binding site 2 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:4.5 occ:1.00 CLAS D:G1V301 0.0 4.5 1.0 CAQ D:G1V301 1.7 2.8 1.0 CAP D:G1V301 2.7 1.4 1.0 CAL D:G1V301 2.7 8.4 1.0 OAK D:G1V301 2.8 9.4 1.0 CAJ D:G1V301 3.0 7.5 1.0 CA C:THR128 3.1 9.5 1.0 O C:ILE127 3.2 7.0 1.0 OG C:SER155 3.3 8.5 1.0 N C:VAL129 3.4 2.0 1.0 C C:THR128 3.5 9.2 1.0 CD1 C:LEU169 3.6 5.3 1.0 CD1 C:ILE158 3.6 5.1 1.0 C C:ILE127 3.8 1.4 1.0 N C:THR128 3.8 4.4 1.0 CAM D:G1V301 4.0 7.3 1.0 CAO D:G1V301 4.0 6.5 1.0 CB C:SER155 4.1 6.9 1.0 NAI D:G1V301 4.1 0.6 1.0 CB C:THR128 4.1 4.1 1.0 CG1 C:ILE158 4.4 1.2 1.0 CB C:VAL129 4.4 4.4 1.0 CG2 C:THR128 4.4 4.5 1.0 CA C:VAL129 4.4 3.4 1.0 O C:THR128 4.5 4.2 1.0 CAN D:G1V301 4.5 3.3 1.0 CG C:LEU169 4.9 9.7 1.0 CAB D:G1V301 5.0 3.1 1.0

Chlorine binding site 3 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:2.2 occ:1.00 CLBB D:G1V301 0.0 2.2 1.0 CBA D:G1V301 1.7 5.1 1.0 CAZ D:G1V301 2.6 4.1 1.0 NAD D:G1V301 2.6 1.4 1.0 CAV D:G1V301 2.8 3.7 1.0 NAE D:G1V301 3.1 3.4 1.0 CAT D:G1V301 3.3 0.9 1.0 CD1 D:ILE133 3.4 7.5 1.0 CB D:ALA142 3.6 6.8 1.0 CAC D:G1V301 3.6 4.0 1.0 NAH D:G1V301 3.8 1.9 1.0 CAY D:G1V301 3.9 2.2 1.0 CG1 D:ILE133 4.0 0.6 1.0 CAW D:G1V301 4.1 2.3 1.0 CAF D:G1V301 4.1 4.7 1.0 OE2 D:GLU144 4.2 4.9 1.0 CAA D:G1V301 4.3 7.4 1.0 CD2 C:LEU169 4.4 7.4 1.0 CAB D:G1V301 4.5 3.1 1.0 OAU D:G1V301 4.5 8.1 1.0 CAX D:G1V301 4.5 2.6 1.0 CBD D:G1V301 4.8 6.5 1.0 CA D:ALA142 5.0 7.6 1.0

Chlorine binding site 4 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:7.9 occ:1.00 CLBC D:G1V301 0.0 7.9 1.0 CAW D:G1V301 1.8 2.3 1.0 CAX D:G1V301 2.7 2.6 1.0 OAU D:G1V301 2.7 8.1 1.0 CAV D:G1V301 2.8 3.7 1.0 CAT D:G1V301 3.0 0.9 1.0 CG2 D:THR135 3.4 9.1 1.0 CAY D:G1V301 4.0 2.2 1.0 CB D:THR140 4.0 4.8 1.0 CBA D:G1V301 4.1 5.1 1.0 CG2 D:THR140 4.2 1.0 1.0 NAE D:G1V301 4.3 3.4 1.0 OG1 D:THR140 4.4 7.1 1.0 CAZ D:G1V301 4.5 4.1 1.0 NE1 C:TRP130 4.8 8.0 1.0 CE1 K:PHE140 4.9 1.5 1.0 CB D:THR135 4.9 3.4 1.0 CD1 K:PHE140 5.0 8.2 1.0

Chlorine binding site 5 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl402 b:19.7 occ:1.00 CLAR I:G1V402 0.0 19.7 1.0 CAM I:G1V402 1.7 21.9 1.0 NAI I:G1V402 2.5 26.4 1.0 CAN I:G1V402 2.7 20.2 1.0 CAL I:G1V402 2.7 20.5 1.0 OAG I:G1V402 2.9 18.5 1.0 CAJ I:G1V402 3.0 26.1 1.0 CAB I:G1V402 3.5 19.3 1.0 CAF I:G1V402 3.5 17.7 1.0 CAC I:G1V402 3.8 27.0 1.0 CE2 F:PHE140 3.8 9.1 1.0 CAO I:G1V402 4.0 20.6 1.0 CAQ I:G1V402 4.0 24.2 1.0 OAK I:G1V402 4.1 22.1 1.0 SG F:CYS245 4.1 60.0 1.0 CZ F:PHE140 4.4 2.0 1.0 CBF I:G1V402 4.5 21.9 1.0 CAP I:G1V402 4.5 26.7 1.0 CD2 F:PHE140 4.5 1.8 1.0 CAA I:G1V402 4.5 20.2 1.0 NAH I:G1V402 4.6 27.0 1.0

Chlorine binding site 6 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl402 b:27.1 occ:1.00 CLAS I:G1V402 0.0 27.1 1.0 CAQ I:G1V402 1.7 24.2 1.0 CAP I:G1V402 2.7 26.7 1.0 N I:VAL129 2.7 3.5 1.0 CAL I:G1V402 2.7 20.5 1.0 OAK I:G1V402 2.7 22.1 1.0 CAJ I:G1V402 3.0 26.1 1.0 CA I:THR128 3.1 3.5 1.0 C I:THR128 3.3 2.4 1.0 CD1 I:LEU169 3.3 1.7 1.0 O I:ILE127 3.4 0.4 1.0 CB I:VAL129 3.6 3.3 1.0 CA I:VAL129 3.7 0.8 1.0 OG I:SER155 3.7 8.5 1.0 CAO I:G1V402 4.0 20.6 1.0 CAM I:G1V402 4.0 21.9 1.0 N I:THR128 4.0 8.8 1.0 CG1 I:VAL129 4.0 9.7 1.0 CB I:THR128 4.1 9.2 1.0 C I:ILE127 4.1 0.3 1.0 CD1 I:ILE158 4.2 8.4 1.0 NAI I:G1V402 4.2 26.4 1.0 CB I:SER155 4.3 1.4 1.0 O I:THR128 4.4 5.0 1.0 CG2 I:THR128 4.5 6.4 1.0 CAN I:G1V402 4.5 20.2 1.0 CG I:LEU169 4.7 6.3 1.0 CG2 I:VAL129 4.9 5.5 1.0 CB I:LEU169 5.0 3.9 1.0 C I:VAL129 5.0 9.4 1.0

Chlorine binding site 7 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl402 b:24.8 occ:1.00 CLBB I:G1V402 0.0 24.8 1.0 CBA I:G1V402 1.7 24.4 1.0 CAZ I:G1V402 2.6 26.3 1.0 NAD I:G1V402 2.7 25.4 1.0 CAV I:G1V402 2.8 19.5 1.0 NAE I:G1V402 3.1 19.3 1.0 CAT I:G1V402 3.3 22.1 1.0 CD1 H:ILE133 3.3 6.9 1.0 CB H:ALA142 3.5 7.1 1.0 CAC I:G1V402 3.7 27.0 1.0 CAY I:G1V402 3.9 19.3 1.0 CG1 H:ILE133 4.0 8.9 1.0 NAH I:G1V402 4.0 27.0 1.0 CAW I:G1V402 4.0 18.8 1.0 CAF I:G1V402 4.2 17.7 1.0 CAA I:G1V402 4.2 20.2 1.0 OAU I:G1V402 4.4 21.3 1.0 CAB I:G1V402 4.5 19.3 1.0 CAX I:G1V402 4.5 18.0 1.0 OE2 H:GLU144 4.6 7.4 1.0 CD2 I:LEU169 4.6 4.8 1.0 CA H:ALA142 4.9 4.8 1.0

Chlorine binding site 8 out of 8 in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl402 b:25.1 occ:1.00 CLBC I:G1V402 0.0 25.1 1.0 CAW I:G1V402 1.8 18.8 1.0 CAX I:G1V402 2.7 18.0 1.0 OAU I:G1V402 2.7 21.3 1.0 CAV I:G1V402 2.8 19.5 1.0 CAT I:G1V402 3.0 22.1 1.0 CG2 H:THR135 3.5 1.1 1.0 CAY I:G1V402 4.0 19.3 1.0 CBA I:G1V402 4.0 24.4 1.0 NAE I:G1V402 4.2 19.3 1.0 CB H:THR140 4.3 5.4 1.0 OG1 H:THR140 4.4 4.6 1.0 CAZ I:G1V402 4.5 26.3 1.0 CB H:THR135 4.6 0.7 1.0 CG2 H:THR140 4.7 0.2 1.0 CE1 F:PHE140 4.9 4.8 1.0 CD1 F:PHE140 5.0 3.5 1.0 CAA I:G1V402 5.0 20.2 1.0

F.Chandler, P.Reddy, S.Bhutda, R.Ross, M.Walden, K.Walker, J.Cassel, M.Prakesch, A.Datti, L.Campbell, M.Foglizzo, L.Bell, J.Ault, R.Al-Awar, A.Calabrese, F.Sicheri, F.Del Galdo, J.Salvino, R.Greenberg, E.Zeqiraj. First-in-Class Dub Molecular Glues and Inhibitors of Inflammation To Be Published.