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:
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
|