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

Other elements in 8pvy:

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

Chlorine (Cl) 8 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Cryo-Em Structure of the Human Brisc Dimer Complex Bound to Compound Fx-171-C, PDB code: 8pvy:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 8pvy

Go back to Zinc Binding Sites List in 8pvy
Zinc binding site 1 out of 4 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 Zinc with other atoms in the Zn 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
A:Zn401

b:96.5
occ:1.00
CH2 A:TRP120 2.3 2.2 1.0
OD1 A:ASP135 3.1 29.8 1.0
CZ3 A:TRP120 3.2 1.2 1.0
CZ2 A:TRP120 3.3 2.4 1.0
CG A:ASP135 3.5 34.5 1.0
O A:VAL90 3.7 70.4 1.0
CA A:ASP135 3.8 34.7 1.0
CG1 A:VAL90 3.9 70.9 1.0
CB A:ASP135 4.0 30.1 1.0
CB A:THR138 4.0 11.9 1.0
CB A:VAL90 4.1 76.0 1.0
CE1 A:HIS122 4.1 7.8 1.0
OD2 A:ASP135 4.1 31.8 1.0
OG1 A:THR138 4.2 15.6 1.0
CG2 A:THR138 4.3 13.5 1.0
NE2 A:HIS122 4.3 4.6 1.0
O A:ASP135 4.4 34.4 1.0
ND1 A:HIS122 4.5 8.8 1.0
CE3 A:TRP120 4.5 9.0 1.0
CE2 A:TRP120 4.5 7.8 1.0
C A:VAL90 4.6 69.3 1.0
C A:ASP135 4.7 34.5 1.0
N A:ASP135 4.8 29.0 1.0
CD2 A:HIS122 4.8 4.5 1.0
CA A:VAL90 4.9 75.9 1.0
CG A:HIS122 4.9 6.3 1.0
O A:VAL134 4.9 24.2 1.0

Zinc binding site 2 out of 4 in 8pvy

Go back to Zinc Binding Sites List in 8pvy
Zinc binding site 2 out of 4 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 Zinc with other atoms in the Zn 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
C:Zn401

b:6.0
occ:1.00
OD2 C:ASP135 2.1 8.2 1.0
NE2 C:HIS122 2.3 7.1 1.0
NE2 C:HIS124 2.3 6.7 1.0
CE1 C:HIS124 2.8 5.6 1.0
CD2 C:HIS122 3.0 2.5 1.0
CG C:ASP135 3.1 8.4 1.0
CD2 C:HIS124 3.3 7.5 1.0
OD1 C:ASP135 3.4 9.1 1.0
CE1 C:HIS122 3.5 5.5 1.0
ND1 C:HIS124 3.8 6.9 1.0
CG C:HIS124 4.1 1.1 1.0
CG C:HIS122 4.2 3.3 1.0
OD1 C:ASP88 4.4 23.3 1.0
OG C:SER132 4.4 7.4 1.0
CB C:ASP135 4.4 5.4 1.0
ND1 C:HIS122 4.4 9.5 1.0
CD1 C:ILE153 4.5 5.6 1.0
CG2 C:VAL90 4.8 19.1 1.0
O C:SER123 4.8 5.5 1.0

Zinc binding site 3 out of 4 in 8pvy

Go back to Zinc Binding Sites List in 8pvy
Zinc binding site 3 out of 4 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 Zinc with other atoms in the Zn 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
G:Zn401

b:131.7
occ:1.00
CH2 G:TRP120 2.3 10.0 1.0
CZ3 G:TRP120 3.0 7.3 1.0
O G:VAL90 3.3 79.9 1.0
CZ2 G:TRP120 3.4 1.3 1.0
CG G:ASP135 3.8 37.4 1.0
CA G:ASP135 3.8 37.0 1.0
CB G:VAL90 3.9 79.3 1.0
OD2 G:ASP135 4.0 42.9 1.0
CB G:ASP135 4.0 37.6 1.0
OD1 G:ASP135 4.1 36.3 1.0
OG1 G:THR138 4.1 34.1 1.0
C G:VAL90 4.2 82.8 1.0
CB G:THR138 4.2 32.2 1.0
CE1 G:HIS122 4.2 1.8 1.0
NE2 G:HIS122 4.3 5.3 1.0
CE3 G:TRP120 4.4 6.5 1.0
CG1 G:VAL90 4.4 84.5 1.0
ND1 G:HIS122 4.5 8.5 1.0
N G:ASP135 4.6 35.9 1.0
CG2 G:THR138 4.6 32.9 1.0
CA G:VAL90 4.6 87.9 1.0
CE2 G:TRP120 4.6 7.8 1.0
CD2 G:HIS122 4.6 7.5 1.0
O G:ASP135 4.7 37.4 1.0
CG G:HIS122 4.8 4.2 1.0
C G:ASP135 4.8 41.4 1.0
O G:VAL134 4.9 41.2 1.0
CG2 G:VAL90 4.9 84.8 1.0

Zinc binding site 4 out of 4 in 8pvy

Go back to Zinc Binding Sites List in 8pvy
Zinc binding site 4 out of 4 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 Zinc with other atoms in the Zn 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
I:Zn401

b:189.9
occ:1.00
O I:VAL90 2.1 24.1 1.0
CZ3 I:TRP120 2.3 7.4 1.0
CH2 I:TRP120 2.4 2.0 1.0
CB I:VAL90 2.6 23.3 1.0
C I:VAL90 2.7 19.8 1.0
CG1 I:VAL90 2.9 23.4 1.0
CA I:VAL90 3.1 21.3 1.0
CE3 I:TRP120 3.7 10.0 1.0
N I:GLU91 3.7 29.7 1.0
CZ2 I:TRP120 3.7 8.2 1.0
CG2 I:VAL90 3.9 23.3 1.0
N I:VAL90 4.0 20.6 1.0
CA I:GLU91 4.2 24.1 1.0
CG2 I:THR138 4.5 3.8 1.0
CE2 I:TRP120 4.6 0.7 1.0
CD2 I:TRP120 4.7 8.0 1.0
CG I:HIS122 4.7 5.2 1.0
CD2 I:HIS122 4.7 2.6 1.0
ND1 I:HIS122 4.8 7.7 1.0
NE2 I:HIS122 4.8 5.8 1.0
CE1 I:HIS122 4.9 8.6 1.0
CB I:THR138 4.9 7.1 1.0

Reference:

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.
Page generated: Tue Feb 25 12:10:59 2025

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