Chlorine 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 Binding Sites:
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 8pvy
Go back to
Chlorine Binding Sites List in 8pvy
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 8pvy
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Chlorine Binding Sites List in 8pvy
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 8pvy
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Chlorine Binding Sites List in 8pvy
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 8pvy
Go back to
Chlorine Binding Sites List in 8pvy
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 8pvy
Go back to
Chlorine Binding Sites List in 8pvy
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 8pvy
Go back to
Chlorine Binding Sites List in 8pvy
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 8pvy
Go back to
Chlorine Binding Sites List in 8pvy
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 8pvy
Go back to
Chlorine Binding Sites List in 8pvy
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
|
|
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 09:07:40 2025
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