Chlorine in PDB 6adi: Crystal Structures of IDH2 R140Q in Complex with Ag-881
Enzymatic activity of Crystal Structures of IDH2 R140Q in Complex with Ag-881
All present enzymatic activity of Crystal Structures of IDH2 R140Q in Complex with Ag-881:
1.1.1.42;
Protein crystallography data
The structure of Crystal Structures of IDH2 R140Q in Complex with Ag-881, PDB code: 6adi
was solved by
R.Ma,
C.H.Yun,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.61 /
1.97
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
57.781,
118.419,
126.082,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.6 /
22.6
|
Other elements in 6adi:
The structure of Crystal Structures of IDH2 R140Q in Complex with Ag-881 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
(pdb code 6adi). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the
Crystal Structures of IDH2 R140Q in Complex with Ag-881, PDB code: 6adi:
Jump to Chlorine binding site number:
1;
2;
Chlorine binding site 1 out
of 2 in 6adi
Go back to
Chlorine Binding Sites List in 6adi
Chlorine binding site 1 out
of 2 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl502
b:15.2
occ:0.57
|
CL1
|
A:9UO502
|
0.0
|
15.2
|
0.6
|
C13
|
A:9UO502
|
0.9
|
14.1
|
0.4
|
C14
|
A:9UO502
|
1.0
|
13.3
|
0.4
|
C15
|
A:9UO502
|
1.7
|
14.0
|
0.6
|
C12
|
A:9UO502
|
2.3
|
14.4
|
0.4
|
C15
|
A:9UO502
|
2.3
|
15.1
|
0.4
|
N17
|
A:9UO502
|
2.5
|
14.6
|
0.6
|
C14
|
A:9UO502
|
2.8
|
13.9
|
0.6
|
OD1
|
A:ASP312
|
2.9
|
7.7
|
1.0
|
N17
|
A:9UO502
|
3.2
|
15.4
|
0.4
|
C11
|
A:9UO502
|
3.2
|
15.0
|
0.4
|
CG
|
A:ASP312
|
3.6
|
7.9
|
1.0
|
C11
|
A:9UO502
|
3.7
|
15.2
|
0.6
|
CA
|
A:ASP312
|
3.7
|
6.8
|
1.0
|
CL1
|
A:9UO502
|
3.8
|
11.1
|
0.4
|
CB
|
A:ASP312
|
3.8
|
6.7
|
1.0
|
C13
|
A:9UO502
|
4.0
|
12.8
|
0.6
|
OH
|
B:TYR311
|
4.1
|
8.8
|
1.0
|
CE2
|
B:TYR311
|
4.1
|
10.8
|
1.0
|
CG1
|
A:ILE290
|
4.3
|
9.8
|
1.0
|
NE2
|
A:GLN316
|
4.3
|
22.3
|
1.0
|
C12
|
A:9UO502
|
4.3
|
13.7
|
0.6
|
CD1
|
A:ILE290
|
4.4
|
7.7
|
1.0
|
CG1
|
B:VAL315
|
4.4
|
17.3
|
1.0
|
O
|
A:ASP312
|
4.5
|
7.0
|
1.0
|
CZ
|
B:TYR311
|
4.5
|
11.5
|
1.0
|
CG2
|
B:VAL315
|
4.6
|
13.5
|
1.0
|
CB
|
A:VAL315
|
4.6
|
12.1
|
1.0
|
CE2
|
A:TYR311
|
4.6
|
9.3
|
1.0
|
C
|
A:ASP312
|
4.6
|
7.1
|
1.0
|
CG1
|
A:VAL315
|
4.7
|
14.1
|
1.0
|
OD2
|
A:ASP312
|
4.7
|
10.5
|
1.0
|
CD2
|
A:TYR311
|
4.7
|
9.0
|
1.0
|
C10
|
A:9UO502
|
4.7
|
14.8
|
0.4
|
N
|
A:ASP312
|
4.7
|
6.5
|
1.0
|
CG2
|
A:VAL315
|
4.7
|
12.6
|
1.0
|
C10
|
A:9UO502
|
4.9
|
14.0
|
0.6
|
CB
|
B:VAL315
|
4.9
|
13.3
|
1.0
|
|
Chlorine binding site 2 out
of 2 in 6adi
Go back to
Chlorine Binding Sites List in 6adi
Chlorine binding site 2 out
of 2 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl502
b:11.1
occ:0.43
|
CL1
|
A:9UO502
|
0.0
|
11.1
|
0.4
|
C13
|
A:9UO502
|
0.7
|
12.8
|
0.6
|
C14
|
A:9UO502
|
1.0
|
13.9
|
0.6
|
C15
|
A:9UO502
|
1.7
|
15.1
|
0.4
|
C12
|
A:9UO502
|
2.1
|
13.7
|
0.6
|
C15
|
A:9UO502
|
2.4
|
14.0
|
0.6
|
N17
|
A:9UO502
|
2.4
|
15.4
|
0.4
|
C14
|
A:9UO502
|
2.8
|
13.3
|
0.4
|
OD1
|
B:ASP312
|
2.8
|
11.1
|
1.0
|
C11
|
A:9UO502
|
3.1
|
15.2
|
0.6
|
N17
|
A:9UO502
|
3.1
|
14.6
|
0.6
|
CG
|
B:ASP312
|
3.5
|
11.7
|
1.0
|
C11
|
A:9UO502
|
3.6
|
15.0
|
0.4
|
CA
|
B:ASP312
|
3.7
|
5.5
|
1.0
|
CB
|
B:ASP312
|
3.7
|
6.2
|
1.0
|
CL1
|
A:9UO502
|
3.8
|
15.2
|
0.6
|
C13
|
A:9UO502
|
4.0
|
14.1
|
0.4
|
NE2
|
B:GLN316
|
4.1
|
20.0
|
1.0
|
CD1
|
B:ILE290
|
4.2
|
6.9
|
1.0
|
OH
|
A:TYR311
|
4.2
|
8.4
|
1.0
|
CG1
|
B:ILE290
|
4.2
|
9.6
|
1.0
|
C12
|
A:9UO502
|
4.2
|
14.4
|
0.4
|
CE2
|
A:TYR311
|
4.3
|
9.3
|
1.0
|
O
|
B:ASP312
|
4.3
|
9.1
|
1.0
|
CG1
|
A:VAL315
|
4.4
|
14.1
|
1.0
|
C
|
B:ASP312
|
4.5
|
7.9
|
1.0
|
CG2
|
A:VAL315
|
4.5
|
12.6
|
1.0
|
C10
|
A:9UO502
|
4.5
|
14.0
|
0.6
|
CB
|
B:VAL315
|
4.6
|
13.3
|
1.0
|
OD2
|
B:ASP312
|
4.6
|
9.4
|
1.0
|
CZ
|
A:TYR311
|
4.7
|
13.5
|
1.0
|
CG1
|
B:VAL315
|
4.7
|
17.3
|
1.0
|
N
|
B:ASP312
|
4.7
|
5.8
|
1.0
|
C10
|
A:9UO502
|
4.8
|
14.8
|
0.4
|
CE2
|
B:TYR311
|
4.8
|
10.8
|
1.0
|
CD2
|
B:TYR311
|
4.8
|
9.4
|
1.0
|
CG2
|
B:VAL315
|
4.9
|
13.5
|
1.0
|
CB
|
A:VAL315
|
4.9
|
12.1
|
1.0
|
N18
|
A:9UO502
|
5.0
|
16.6
|
0.4
|
|
Reference:
R.Ma,
C.H.Yun.
Crystal Structures of Pan-Idh Inhibitor Ag-881 in Complex with Mutant Human IDH1 and IDH2 Biochem. Biophys. Res. V. 503 2912 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 30131249
DOI: 10.1016/J.BBRC.2018.08.068
Page generated: Sat Dec 12 12:43:30 2020
|