Chlorine in PDB 6arj: Crystal Structure of CARM1 with EPZ022302 and Sah
Enzymatic activity of Crystal Structure of CARM1 with EPZ022302 and Sah
All present enzymatic activity of Crystal Structure of CARM1 with EPZ022302 and Sah:
2.1.1.319;
Protein crystallography data
The structure of Crystal Structure of CARM1 with EPZ022302 and Sah, PDB code: 6arj
was solved by
P.A.Boriack-Sjodin,
L.Jin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.11 /
1.92
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
75.164,
98.802,
208.293,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.5 /
21.2
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of CARM1 with EPZ022302 and Sah
(pdb code 6arj). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of CARM1 with EPZ022302 and Sah, PDB code: 6arj:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 1 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl502
b:17.9
occ:0.50
|
CLAL
|
A:BW4502
|
0.0
|
17.9
|
0.5
|
|
CLAL
|
A:BW4502
|
0.0
|
19.2
|
0.5
|
|
CAK
|
A:BW4502
|
1.7
|
16.3
|
0.5
|
|
CAK
|
A:BW4502
|
1.7
|
17.6
|
0.5
|
|
CAJ
|
A:BW4502
|
2.6
|
15.9
|
0.5
|
|
CAJ
|
A:BW4502
|
2.6
|
17.1
|
0.5
|
|
CAM
|
A:BW4502
|
2.7
|
16.5
|
0.5
|
|
CAM
|
A:BW4502
|
2.7
|
17.9
|
0.5
|
|
N1
|
A:BW4502
|
3.1
|
19.3
|
0.5
|
|
N1
|
A:BW4502
|
3.1
|
17.4
|
0.5
|
|
C2
|
A:BW4502
|
3.1
|
18.9
|
0.5
|
|
C2
|
A:BW4502
|
3.1
|
17.2
|
0.5
|
|
CE1
|
A:PHE474
|
3.4
|
25.7
|
1.0
|
|
CD1
|
A:PHE474
|
3.7
|
24.4
|
1.0
|
|
O
|
A:HOH785
|
3.8
|
17.3
|
1.0
|
|
CD2
|
A:TYR261
|
3.9
|
17.2
|
1.0
|
|
CAI
|
A:BW4502
|
3.9
|
15.5
|
0.5
|
|
CAI
|
A:BW4502
|
3.9
|
16.6
|
0.5
|
|
OH
|
A:TYR476
|
4.0
|
25.0
|
1.0
|
|
O
|
A:HOH714
|
4.0
|
24.4
|
1.0
|
|
CAN
|
A:BW4502
|
4.0
|
15.7
|
0.5
|
|
CAN
|
A:BW4502
|
4.0
|
17.0
|
0.5
|
|
CG1
|
A:VAL340
|
4.1
|
16.0
|
1.0
|
|
C6
|
A:BW4502
|
4.1
|
20.9
|
0.5
|
|
C6
|
A:BW4502
|
4.1
|
18.7
|
0.5
|
|
CE2
|
A:TYR476
|
4.2
|
23.2
|
1.0
|
|
N3
|
A:BW4502
|
4.2
|
19.0
|
0.5
|
|
N3
|
A:BW4502
|
4.2
|
17.2
|
0.5
|
|
CAH
|
A:BW4502
|
4.5
|
15.4
|
0.5
|
|
CAH
|
A:BW4502
|
4.5
|
16.5
|
0.5
|
|
CAS
|
A:BW4502
|
4.5
|
21.7
|
0.5
|
|
CAU
|
A:BW4502
|
4.5
|
24.7
|
0.5
|
|
CZ
|
A:TYR476
|
4.5
|
24.2
|
1.0
|
|
CE2
|
A:TYR261
|
4.5
|
16.7
|
1.0
|
|
CG
|
A:TYR261
|
4.6
|
17.3
|
1.0
|
|
NAR
|
A:BW4502
|
4.6
|
22.7
|
0.5
|
|
NAR
|
A:BW4502
|
4.6
|
20.1
|
0.5
|
|
CZ
|
A:PHE474
|
4.6
|
25.3
|
1.0
|
|
CB
|
A:TYR261
|
4.6
|
17.3
|
1.0
|
|
O
|
A:HIS414
|
4.8
|
15.4
|
1.0
|
|
CB
|
A:VAL340
|
4.9
|
17.1
|
1.0
|
|
CG2
|
A:VAL340
|
5.0
|
16.5
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 2 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl502
b:19.2
occ:0.50
|
CLAL
|
A:BW4502
|
0.0
|
19.2
|
0.5
|
|
CLAL
|
A:BW4502
|
0.0
|
17.9
|
0.5
|
|
CAK
|
A:BW4502
|
1.7
|
16.3
|
0.5
|
|
CAK
|
A:BW4502
|
1.7
|
17.6
|
0.5
|
|
CAJ
|
A:BW4502
|
2.6
|
15.9
|
0.5
|
|
CAJ
|
A:BW4502
|
2.6
|
17.1
|
0.5
|
|
CAM
|
A:BW4502
|
2.7
|
16.5
|
0.5
|
|
CAM
|
A:BW4502
|
2.7
|
17.9
|
0.5
|
|
N1
|
A:BW4502
|
3.1
|
19.3
|
0.5
|
|
N1
|
A:BW4502
|
3.1
|
17.4
|
0.5
|
|
C2
|
A:BW4502
|
3.1
|
18.9
|
0.5
|
|
C2
|
A:BW4502
|
3.1
|
17.2
|
0.5
|
|
CE1
|
A:PHE474
|
3.4
|
25.7
|
1.0
|
|
CD1
|
A:PHE474
|
3.7
|
24.4
|
1.0
|
|
O
|
A:HOH785
|
3.8
|
17.3
|
1.0
|
|
CD2
|
A:TYR261
|
3.9
|
17.2
|
1.0
|
|
CAI
|
A:BW4502
|
3.9
|
15.5
|
0.5
|
|
CAI
|
A:BW4502
|
3.9
|
16.6
|
0.5
|
|
OH
|
A:TYR476
|
4.0
|
25.0
|
1.0
|
|
O
|
A:HOH714
|
4.0
|
24.4
|
1.0
|
|
CAN
|
A:BW4502
|
4.0
|
15.7
|
0.5
|
|
CAN
|
A:BW4502
|
4.0
|
17.0
|
0.5
|
|
CG1
|
A:VAL340
|
4.1
|
16.0
|
1.0
|
|
C6
|
A:BW4502
|
4.1
|
20.9
|
0.5
|
|
C6
|
A:BW4502
|
4.1
|
18.7
|
0.5
|
|
CE2
|
A:TYR476
|
4.2
|
23.2
|
1.0
|
|
N3
|
A:BW4502
|
4.2
|
19.0
|
0.5
|
|
N3
|
A:BW4502
|
4.2
|
17.2
|
0.5
|
|
CAH
|
A:BW4502
|
4.5
|
15.4
|
0.5
|
|
CAH
|
A:BW4502
|
4.5
|
16.5
|
0.5
|
|
CAS
|
A:BW4502
|
4.5
|
21.7
|
0.5
|
|
CAU
|
A:BW4502
|
4.5
|
24.7
|
0.5
|
|
CZ
|
A:TYR476
|
4.5
|
24.2
|
1.0
|
|
CE2
|
A:TYR261
|
4.5
|
16.7
|
1.0
|
|
CG
|
A:TYR261
|
4.6
|
17.3
|
1.0
|
|
NAR
|
A:BW4502
|
4.6
|
22.7
|
0.5
|
|
NAR
|
A:BW4502
|
4.6
|
20.1
|
0.5
|
|
CZ
|
A:PHE474
|
4.6
|
25.3
|
1.0
|
|
CB
|
A:TYR261
|
4.6
|
17.3
|
1.0
|
|
O
|
A:HIS414
|
4.8
|
15.4
|
1.0
|
|
CB
|
A:VAL340
|
4.9
|
17.1
|
1.0
|
|
CG2
|
A:VAL340
|
5.0
|
16.5
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 3 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl502
b:18.9
occ:0.50
|
CLAL
|
B:BW4502
|
0.0
|
18.9
|
0.5
|
|
CLAL
|
B:BW4502
|
0.0
|
18.5
|
0.5
|
|
CAK
|
B:BW4502
|
1.8
|
16.8
|
0.5
|
|
CAK
|
B:BW4502
|
1.8
|
17.1
|
0.5
|
|
CAJ
|
B:BW4502
|
2.7
|
16.8
|
0.5
|
|
CAJ
|
B:BW4502
|
2.7
|
17.1
|
0.5
|
|
CAM
|
B:BW4502
|
2.8
|
17.1
|
0.5
|
|
CAM
|
B:BW4502
|
2.8
|
16.6
|
0.5
|
|
N1
|
B:BW4502
|
3.0
|
18.5
|
0.5
|
|
N1
|
B:BW4502
|
3.0
|
17.9
|
0.5
|
|
C2
|
B:BW4502
|
3.1
|
17.6
|
0.5
|
|
C2
|
B:BW4502
|
3.1
|
17.1
|
0.5
|
|
CE1
|
B:PHE474
|
3.5
|
19.4
|
1.0
|
|
CD1
|
B:PHE474
|
3.7
|
19.6
|
1.0
|
|
OH
|
B:TYR476
|
3.7
|
23.8
|
1.0
|
|
CD2
|
B:TYR261
|
3.7
|
13.5
|
1.0
|
|
O
|
B:HOH687
|
3.8
|
22.5
|
1.0
|
|
O
|
B:HOH794
|
3.8
|
18.1
|
1.0
|
|
CAI
|
B:BW4502
|
4.0
|
16.5
|
0.5
|
|
CAI
|
B:BW4502
|
4.0
|
16.8
|
0.5
|
|
C6
|
B:BW4502
|
4.0
|
19.3
|
0.5
|
|
C6
|
B:BW4502
|
4.0
|
18.6
|
0.5
|
|
CAN
|
B:BW4502
|
4.1
|
16.6
|
0.5
|
|
CAN
|
B:BW4502
|
4.1
|
17.0
|
0.5
|
|
CE2
|
B:TYR476
|
4.1
|
23.5
|
1.0
|
|
N3
|
B:BW4502
|
4.2
|
17.1
|
0.5
|
|
N3
|
B:BW4502
|
4.2
|
16.5
|
0.5
|
|
CG1
|
B:VAL340
|
4.2
|
16.0
|
1.0
|
|
CE2
|
B:TYR261
|
4.3
|
13.7
|
1.0
|
|
CZ
|
B:TYR476
|
4.4
|
24.1
|
1.0
|
|
NAR
|
B:BW4502
|
4.5
|
21.3
|
0.5
|
|
NAR
|
B:BW4502
|
4.5
|
20.6
|
0.5
|
|
CAU
|
B:BW4502
|
4.5
|
22.1
|
0.5
|
|
CAH
|
B:BW4502
|
4.5
|
16.1
|
0.5
|
|
CAH
|
B:BW4502
|
4.5
|
16.4
|
0.5
|
|
CAU
|
B:BW4502
|
4.5
|
22.8
|
0.5
|
|
CG
|
B:TYR261
|
4.5
|
13.6
|
1.0
|
|
CZ
|
B:PHE474
|
4.7
|
19.5
|
1.0
|
|
CB
|
B:TYR261
|
4.7
|
13.1
|
1.0
|
|
O
|
B:HIS414
|
4.8
|
16.9
|
1.0
|
|
C5
|
B:BW4502
|
4.9
|
18.8
|
0.5
|
|
C5
|
B:BW4502
|
4.9
|
18.1
|
0.5
|
|
C4
|
B:BW4502
|
5.0
|
18.0
|
0.5
|
|
CG
|
B:PHE474
|
5.0
|
18.9
|
1.0
|
|
C4
|
B:BW4502
|
5.0
|
17.3
|
0.5
|
|
Chlorine binding site 4 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 4 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl502
b:18.5
occ:0.50
|
CLAL
|
B:BW4502
|
0.0
|
18.5
|
0.5
|
|
CLAL
|
B:BW4502
|
0.0
|
18.9
|
0.5
|
|
CAK
|
B:BW4502
|
1.8
|
16.8
|
0.5
|
|
CAK
|
B:BW4502
|
1.8
|
17.1
|
0.5
|
|
CAJ
|
B:BW4502
|
2.7
|
16.8
|
0.5
|
|
CAJ
|
B:BW4502
|
2.7
|
17.1
|
0.5
|
|
CAM
|
B:BW4502
|
2.8
|
17.1
|
0.5
|
|
CAM
|
B:BW4502
|
2.8
|
16.6
|
0.5
|
|
N1
|
B:BW4502
|
3.0
|
18.5
|
0.5
|
|
N1
|
B:BW4502
|
3.0
|
17.9
|
0.5
|
|
C2
|
B:BW4502
|
3.1
|
17.6
|
0.5
|
|
C2
|
B:BW4502
|
3.1
|
17.1
|
0.5
|
|
CE1
|
B:PHE474
|
3.5
|
19.4
|
1.0
|
|
CD1
|
B:PHE474
|
3.7
|
19.6
|
1.0
|
|
OH
|
B:TYR476
|
3.7
|
23.8
|
1.0
|
|
CD2
|
B:TYR261
|
3.7
|
13.5
|
1.0
|
|
O
|
B:HOH687
|
3.8
|
22.5
|
1.0
|
|
O
|
B:HOH794
|
3.8
|
18.1
|
1.0
|
|
CAI
|
B:BW4502
|
4.0
|
16.5
|
0.5
|
|
CAI
|
B:BW4502
|
4.0
|
16.8
|
0.5
|
|
C6
|
B:BW4502
|
4.0
|
19.3
|
0.5
|
|
C6
|
B:BW4502
|
4.0
|
18.6
|
0.5
|
|
CAN
|
B:BW4502
|
4.1
|
16.6
|
0.5
|
|
CAN
|
B:BW4502
|
4.1
|
17.0
|
0.5
|
|
CE2
|
B:TYR476
|
4.1
|
23.5
|
1.0
|
|
N3
|
B:BW4502
|
4.2
|
17.1
|
0.5
|
|
N3
|
B:BW4502
|
4.2
|
16.5
|
0.5
|
|
CG1
|
B:VAL340
|
4.2
|
16.0
|
1.0
|
|
CE2
|
B:TYR261
|
4.3
|
13.7
|
1.0
|
|
CZ
|
B:TYR476
|
4.4
|
24.1
|
1.0
|
|
NAR
|
B:BW4502
|
4.5
|
21.3
|
0.5
|
|
NAR
|
B:BW4502
|
4.5
|
20.6
|
0.5
|
|
CAU
|
B:BW4502
|
4.5
|
22.1
|
0.5
|
|
CAH
|
B:BW4502
|
4.5
|
16.1
|
0.5
|
|
CAH
|
B:BW4502
|
4.5
|
16.4
|
0.5
|
|
CAU
|
B:BW4502
|
4.5
|
22.8
|
0.5
|
|
CG
|
B:TYR261
|
4.5
|
13.6
|
1.0
|
|
CZ
|
B:PHE474
|
4.7
|
19.5
|
1.0
|
|
CB
|
B:TYR261
|
4.7
|
13.1
|
1.0
|
|
O
|
B:HIS414
|
4.8
|
16.9
|
1.0
|
|
C5
|
B:BW4502
|
4.9
|
18.8
|
0.5
|
|
C5
|
B:BW4502
|
4.9
|
18.1
|
0.5
|
|
C4
|
B:BW4502
|
5.0
|
18.0
|
0.5
|
|
CG
|
B:PHE474
|
5.0
|
18.9
|
1.0
|
|
C4
|
B:BW4502
|
5.0
|
17.3
|
0.5
|
|
Chlorine binding site 5 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 5 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl502
b:25.5
occ:0.50
|
CLAL
|
C:BW4502
|
0.0
|
25.5
|
0.5
|
|
CLAL
|
C:BW4502
|
0.0
|
24.6
|
0.5
|
|
CAK
|
C:BW4502
|
1.7
|
24.8
|
0.5
|
|
CAK
|
C:BW4502
|
1.7
|
23.9
|
0.5
|
|
CAJ
|
C:BW4502
|
2.6
|
24.5
|
0.5
|
|
CAJ
|
C:BW4502
|
2.6
|
23.6
|
0.5
|
|
CAM
|
C:BW4502
|
2.7
|
24.3
|
0.5
|
|
CAM
|
C:BW4502
|
2.7
|
23.2
|
0.5
|
|
N1
|
C:BW4502
|
3.1
|
26.6
|
0.5
|
|
N1
|
C:BW4502
|
3.1
|
25.1
|
0.5
|
|
C2
|
C:BW4502
|
3.1
|
25.1
|
0.5
|
|
C2
|
C:BW4502
|
3.1
|
23.9
|
0.5
|
|
CE1
|
C:PHE474
|
3.5
|
29.4
|
1.0
|
|
CD2
|
C:TYR261
|
3.7
|
22.0
|
1.0
|
|
CD1
|
C:PHE474
|
3.8
|
28.8
|
1.0
|
|
O
|
C:HOH749
|
3.8
|
21.3
|
1.0
|
|
O
|
C:HOH707
|
3.9
|
30.5
|
1.0
|
|
CAI
|
C:BW4502
|
3.9
|
24.0
|
0.5
|
|
CAI
|
C:BW4502
|
3.9
|
23.2
|
0.5
|
|
OH
|
C:TYR476
|
3.9
|
32.5
|
1.0
|
|
CAN
|
C:BW4502
|
4.0
|
23.9
|
0.5
|
|
CAN
|
C:BW4502
|
4.0
|
22.9
|
0.5
|
|
C6
|
C:BW4502
|
4.1
|
26.0
|
0.5
|
|
C6
|
C:BW4502
|
4.1
|
27.7
|
0.5
|
|
N3
|
C:BW4502
|
4.1
|
24.4
|
0.5
|
|
N3
|
C:BW4502
|
4.1
|
25.7
|
0.5
|
|
CG1
|
C:VAL340
|
4.2
|
22.9
|
1.0
|
|
CE2
|
C:TYR476
|
4.2
|
31.5
|
1.0
|
|
CE2
|
C:TYR261
|
4.3
|
21.8
|
1.0
|
|
CAH
|
C:BW4502
|
4.5
|
22.9
|
0.5
|
|
CAH
|
C:BW4502
|
4.5
|
23.8
|
0.5
|
|
CG
|
C:TYR261
|
4.5
|
21.5
|
1.0
|
|
CAU
|
C:BW4502
|
4.5
|
29.8
|
0.5
|
|
CAS
|
C:BW4502
|
4.5
|
32.3
|
0.5
|
|
CZ
|
C:TYR476
|
4.5
|
32.3
|
1.0
|
|
CB
|
C:TYR261
|
4.6
|
21.8
|
1.0
|
|
NAR
|
C:BW4502
|
4.6
|
28.6
|
0.5
|
|
NAR
|
C:BW4502
|
4.6
|
30.8
|
0.5
|
|
CZ
|
C:PHE474
|
4.7
|
29.2
|
1.0
|
|
O
|
C:HIS414
|
4.8
|
20.6
|
1.0
|
|
CB
|
C:VAL340
|
4.9
|
23.9
|
1.0
|
|
C4
|
C:BW4502
|
4.9
|
24.9
|
0.5
|
|
C4
|
C:BW4502
|
4.9
|
26.2
|
0.5
|
|
C5
|
C:BW4502
|
5.0
|
25.5
|
0.5
|
|
C5
|
C:BW4502
|
5.0
|
27.1
|
0.5
|
|
CG2
|
C:VAL340
|
5.0
|
24.3
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 6 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl502
b:24.6
occ:0.50
|
CLAL
|
C:BW4502
|
0.0
|
24.6
|
0.5
|
|
CLAL
|
C:BW4502
|
0.0
|
25.5
|
0.5
|
|
CAK
|
C:BW4502
|
1.7
|
24.8
|
0.5
|
|
CAK
|
C:BW4502
|
1.7
|
23.9
|
0.5
|
|
CAJ
|
C:BW4502
|
2.6
|
24.5
|
0.5
|
|
CAJ
|
C:BW4502
|
2.6
|
23.6
|
0.5
|
|
CAM
|
C:BW4502
|
2.7
|
24.3
|
0.5
|
|
CAM
|
C:BW4502
|
2.7
|
23.2
|
0.5
|
|
N1
|
C:BW4502
|
3.1
|
26.6
|
0.5
|
|
N1
|
C:BW4502
|
3.1
|
25.1
|
0.5
|
|
C2
|
C:BW4502
|
3.1
|
25.1
|
0.5
|
|
C2
|
C:BW4502
|
3.1
|
23.9
|
0.5
|
|
CE1
|
C:PHE474
|
3.5
|
29.4
|
1.0
|
|
CD2
|
C:TYR261
|
3.7
|
22.0
|
1.0
|
|
CD1
|
C:PHE474
|
3.8
|
28.8
|
1.0
|
|
O
|
C:HOH749
|
3.8
|
21.3
|
1.0
|
|
O
|
C:HOH707
|
3.9
|
30.5
|
1.0
|
|
CAI
|
C:BW4502
|
3.9
|
24.0
|
0.5
|
|
CAI
|
C:BW4502
|
3.9
|
23.2
|
0.5
|
|
OH
|
C:TYR476
|
3.9
|
32.5
|
1.0
|
|
CAN
|
C:BW4502
|
4.0
|
23.9
|
0.5
|
|
CAN
|
C:BW4502
|
4.0
|
22.9
|
0.5
|
|
C6
|
C:BW4502
|
4.1
|
26.0
|
0.5
|
|
C6
|
C:BW4502
|
4.1
|
27.7
|
0.5
|
|
N3
|
C:BW4502
|
4.1
|
24.4
|
0.5
|
|
N3
|
C:BW4502
|
4.1
|
25.7
|
0.5
|
|
CG1
|
C:VAL340
|
4.2
|
22.9
|
1.0
|
|
CE2
|
C:TYR476
|
4.2
|
31.5
|
1.0
|
|
CE2
|
C:TYR261
|
4.3
|
21.8
|
1.0
|
|
CAH
|
C:BW4502
|
4.5
|
22.9
|
0.5
|
|
CAH
|
C:BW4502
|
4.5
|
23.8
|
0.5
|
|
CG
|
C:TYR261
|
4.5
|
21.5
|
1.0
|
|
CAU
|
C:BW4502
|
4.5
|
29.8
|
0.5
|
|
CAS
|
C:BW4502
|
4.5
|
32.3
|
0.5
|
|
CZ
|
C:TYR476
|
4.5
|
32.3
|
1.0
|
|
CB
|
C:TYR261
|
4.6
|
21.8
|
1.0
|
|
NAR
|
C:BW4502
|
4.6
|
28.6
|
0.5
|
|
NAR
|
C:BW4502
|
4.6
|
30.8
|
0.5
|
|
CZ
|
C:PHE474
|
4.7
|
29.2
|
1.0
|
|
O
|
C:HIS414
|
4.8
|
20.6
|
1.0
|
|
CB
|
C:VAL340
|
4.9
|
23.9
|
1.0
|
|
C4
|
C:BW4502
|
4.9
|
24.9
|
0.5
|
|
C4
|
C:BW4502
|
4.9
|
26.2
|
0.5
|
|
C5
|
C:BW4502
|
5.0
|
25.5
|
0.5
|
|
C5
|
C:BW4502
|
5.0
|
27.1
|
0.5
|
|
CG2
|
C:VAL340
|
5.0
|
24.3
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 7 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl502
b:25.2
occ:0.50
|
CLAL
|
D:BW4502
|
0.0
|
25.2
|
0.5
|
|
CLAL
|
D:BW4502
|
0.0
|
25.7
|
0.5
|
|
CAK
|
D:BW4502
|
1.7
|
22.9
|
0.5
|
|
CAK
|
D:BW4502
|
1.7
|
22.4
|
0.5
|
|
CAJ
|
D:BW4502
|
2.6
|
22.5
|
0.5
|
|
CAJ
|
D:BW4502
|
2.6
|
22.9
|
0.5
|
|
CAM
|
D:BW4502
|
2.7
|
23.8
|
0.5
|
|
CAM
|
D:BW4502
|
2.7
|
23.2
|
0.5
|
|
N1
|
D:BW4502
|
3.0
|
25.2
|
0.5
|
|
N1
|
D:BW4502
|
3.0
|
24.4
|
0.5
|
|
C2
|
D:BW4502
|
3.0
|
24.7
|
0.5
|
|
C2
|
D:BW4502
|
3.0
|
24.0
|
0.5
|
|
CE1
|
D:PHE474
|
3.5
|
25.1
|
1.0
|
|
OH
|
D:TYR476
|
3.7
|
30.6
|
1.0
|
|
O
|
D:HOH736
|
3.7
|
24.6
|
1.0
|
|
CD1
|
D:PHE474
|
3.7
|
24.5
|
1.0
|
|
O
|
D:HOH665
|
3.7
|
29.6
|
1.0
|
|
CD2
|
D:TYR261
|
3.8
|
21.1
|
1.0
|
|
CAI
|
D:BW4502
|
3.9
|
21.6
|
0.5
|
|
CAI
|
D:BW4502
|
3.9
|
22.0
|
0.5
|
|
C6
|
D:BW4502
|
4.0
|
27.0
|
0.5
|
|
CAN
|
D:BW4502
|
4.0
|
22.7
|
0.5
|
|
CAN
|
D:BW4502
|
4.0
|
22.2
|
0.5
|
|
C6
|
D:BW4502
|
4.0
|
26.0
|
0.5
|
|
N3
|
D:BW4502
|
4.1
|
25.3
|
0.5
|
|
N3
|
D:BW4502
|
4.1
|
24.5
|
0.5
|
|
CE2
|
D:TYR476
|
4.2
|
27.7
|
1.0
|
|
CG1
|
D:VAL340
|
4.3
|
22.2
|
1.0
|
|
CAU
|
D:BW4502
|
4.4
|
29.5
|
0.5
|
|
CAU
|
D:BW4502
|
4.4
|
30.8
|
0.5
|
|
CZ
|
D:TYR476
|
4.4
|
29.6
|
1.0
|
|
CAH
|
D:BW4502
|
4.4
|
22.1
|
0.5
|
|
CAH
|
D:BW4502
|
4.4
|
21.7
|
0.5
|
|
CE2
|
D:TYR261
|
4.4
|
21.5
|
1.0
|
|
NAR
|
D:BW4502
|
4.5
|
29.5
|
0.5
|
|
NAR
|
D:BW4502
|
4.5
|
28.3
|
0.5
|
|
CG
|
D:TYR261
|
4.6
|
21.5
|
1.0
|
|
CZ
|
D:PHE474
|
4.7
|
23.5
|
1.0
|
|
CB
|
D:TYR261
|
4.7
|
21.4
|
1.0
|
|
O
|
D:HIS414
|
4.8
|
20.2
|
1.0
|
|
C5
|
D:BW4502
|
4.9
|
25.9
|
0.5
|
|
C5
|
D:BW4502
|
4.9
|
25.0
|
0.5
|
|
C4
|
D:BW4502
|
4.9
|
25.7
|
0.5
|
|
C4
|
D:BW4502
|
4.9
|
24.8
|
0.5
|
|
Chlorine binding site 8 out
of 8 in 6arj
Go back to
Chlorine Binding Sites List in 6arj
Chlorine binding site 8 out
of 8 in the Crystal Structure of CARM1 with EPZ022302 and Sah
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of CARM1 with EPZ022302 and Sah within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl502
b:25.7
occ:0.50
|
CLAL
|
D:BW4502
|
0.0
|
25.7
|
0.5
|
|
CLAL
|
D:BW4502
|
0.0
|
25.2
|
0.5
|
|
CAK
|
D:BW4502
|
1.7
|
22.9
|
0.5
|
|
CAK
|
D:BW4502
|
1.7
|
22.4
|
0.5
|
|
CAJ
|
D:BW4502
|
2.6
|
22.5
|
0.5
|
|
CAJ
|
D:BW4502
|
2.6
|
22.9
|
0.5
|
|
CAM
|
D:BW4502
|
2.7
|
23.8
|
0.5
|
|
CAM
|
D:BW4502
|
2.7
|
23.2
|
0.5
|
|
N1
|
D:BW4502
|
3.0
|
25.2
|
0.5
|
|
N1
|
D:BW4502
|
3.0
|
24.4
|
0.5
|
|
C2
|
D:BW4502
|
3.0
|
24.7
|
0.5
|
|
C2
|
D:BW4502
|
3.0
|
24.0
|
0.5
|
|
CE1
|
D:PHE474
|
3.5
|
25.1
|
1.0
|
|
OH
|
D:TYR476
|
3.7
|
30.6
|
1.0
|
|
O
|
D:HOH736
|
3.7
|
24.6
|
1.0
|
|
CD1
|
D:PHE474
|
3.7
|
24.5
|
1.0
|
|
O
|
D:HOH665
|
3.7
|
29.6
|
1.0
|
|
CD2
|
D:TYR261
|
3.8
|
21.1
|
1.0
|
|
CAI
|
D:BW4502
|
3.9
|
21.6
|
0.5
|
|
CAI
|
D:BW4502
|
3.9
|
22.0
|
0.5
|
|
C6
|
D:BW4502
|
4.0
|
27.0
|
0.5
|
|
CAN
|
D:BW4502
|
4.0
|
22.7
|
0.5
|
|
C6
|
D:BW4502
|
4.0
|
26.0
|
0.5
|
|
CAN
|
D:BW4502
|
4.0
|
22.2
|
0.5
|
|
N3
|
D:BW4502
|
4.1
|
25.3
|
0.5
|
|
N3
|
D:BW4502
|
4.1
|
24.5
|
0.5
|
|
CE2
|
D:TYR476
|
4.2
|
27.7
|
1.0
|
|
CG1
|
D:VAL340
|
4.3
|
22.2
|
1.0
|
|
CAU
|
D:BW4502
|
4.4
|
29.5
|
0.5
|
|
CAU
|
D:BW4502
|
4.4
|
30.8
|
0.5
|
|
CZ
|
D:TYR476
|
4.4
|
29.6
|
1.0
|
|
CE2
|
D:TYR261
|
4.4
|
21.5
|
1.0
|
|
CAH
|
D:BW4502
|
4.4
|
22.1
|
0.5
|
|
CAH
|
D:BW4502
|
4.4
|
21.7
|
0.5
|
|
NAR
|
D:BW4502
|
4.5
|
29.5
|
0.5
|
|
NAR
|
D:BW4502
|
4.5
|
28.3
|
0.5
|
|
CG
|
D:TYR261
|
4.6
|
21.5
|
1.0
|
|
CZ
|
D:PHE474
|
4.7
|
23.5
|
1.0
|
|
CB
|
D:TYR261
|
4.7
|
21.4
|
1.0
|
|
O
|
D:HIS414
|
4.8
|
20.2
|
1.0
|
|
C5
|
D:BW4502
|
4.9
|
25.9
|
0.5
|
|
C5
|
D:BW4502
|
4.9
|
25.0
|
0.5
|
|
C4
|
D:BW4502
|
4.9
|
25.7
|
0.5
|
|
C4
|
D:BW4502
|
4.9
|
24.8
|
0.5
|
|
CG
|
D:PHE474
|
5.0
|
23.1
|
1.0
|
|
Reference:
A.E.Drew,
O.Moradei,
S.L.Jacques,
N.Rioux,
A.P.Boriack-Sjodin,
C.Allain,
M.P.Scott,
L.Jin,
A.Raimondi,
J.L.Handler,
H.M.Ott,
R.G.Kruger,
M.T.Mccabe,
C.Sneeringer,
T.Riera,
G.Shapiro,
N.J.Waters,
L.H.Mitchell,
K.W.Duncan,
M.P.Moyer,
R.A.Copeland,
J.Smith,
R.Chesworth,
S.A.Ribich.
Identification of A CARM1 Inhibitor with Potent in Vitro and in Vivo Activity in Preclinical Models of Multiple Myeloma. Sci Rep V. 7 17993 2017.
ISSN: ESSN 2045-2322
PubMed: 29269946
DOI: 10.1038/S41598-017-18446-Z
Page generated: Fri Jul 26 22:12:58 2024
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