Potassium in PDB 1pl0: Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC
Enzymatic activity of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC
All present enzymatic activity of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC:
2.1.2.3;
3.5.4.10;
Protein crystallography data
The structure of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC, PDB code: 1pl0
was solved by
C.G.Cheong,
S.E.Greasley,
P.A.Horton,
G.P.Beardsley,
I.A.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.120,
92.970,
178.490,
90.00,
91.19,
90.00
|
R / Rfree (%)
|
21.3 /
27.5
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC
(pdb code 1pl0). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the
Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC, PDB code: 1pl0:
Jump to Potassium binding site number:
1;
2;
3;
4;
Potassium binding site 1 out
of 4 in 1pl0
Go back to
Potassium Binding Sites List in 1pl0
Potassium binding site 1 out
of 4 in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K1001
b:16.1
occ:1.00
|
O
|
A:THR428
|
2.6
|
10.2
|
1.0
|
O
|
A:VAL425
|
2.6
|
5.9
|
1.0
|
O
|
A:LEU589
|
2.7
|
9.7
|
1.0
|
OD1
|
A:ASP539
|
2.8
|
23.2
|
1.0
|
OG
|
A:SER432
|
2.9
|
16.9
|
1.0
|
OG
|
A:SER430
|
3.4
|
17.5
|
1.0
|
N
|
A:HIS591
|
3.6
|
14.2
|
1.0
|
CG
|
A:ASP539
|
3.7
|
21.1
|
1.0
|
C
|
A:THR428
|
3.7
|
9.2
|
1.0
|
CB
|
A:HIS591
|
3.7
|
17.4
|
1.0
|
CB
|
A:ASP539
|
3.7
|
18.2
|
1.0
|
C
|
A:VAL425
|
3.8
|
7.3
|
1.0
|
C
|
A:LEU589
|
3.9
|
10.1
|
1.0
|
C
|
A:PHE590
|
4.1
|
12.3
|
1.0
|
N
|
A:THR428
|
4.1
|
9.5
|
1.0
|
CA
|
A:PHE590
|
4.2
|
10.3
|
1.0
|
CB
|
A:SER432
|
4.3
|
14.6
|
1.0
|
CA
|
A:HIS591
|
4.3
|
15.9
|
1.0
|
N
|
A:SER430
|
4.3
|
14.8
|
1.0
|
CG2
|
A:VAL425
|
4.3
|
10.3
|
1.0
|
CA
|
A:THR428
|
4.4
|
8.8
|
1.0
|
O
|
A:LYS426
|
4.4
|
8.5
|
1.0
|
CB
|
A:SER430
|
4.4
|
16.2
|
1.0
|
CB
|
A:THR428
|
4.4
|
5.8
|
1.0
|
C
|
A:GLN429
|
4.4
|
12.7
|
1.0
|
CA
|
A:SER430
|
4.4
|
16.8
|
1.0
|
C
|
A:LYS426
|
4.5
|
9.6
|
1.0
|
N
|
A:PHE590
|
4.5
|
9.2
|
1.0
|
CA
|
A:LYS426
|
4.6
|
8.4
|
1.0
|
N
|
A:LYS426
|
4.6
|
7.5
|
1.0
|
O
|
A:GLN429
|
4.6
|
12.7
|
1.0
|
CA
|
A:VAL425
|
4.7
|
7.8
|
1.0
|
CB
|
A:LEU589
|
4.8
|
7.7
|
1.0
|
N
|
A:GLN429
|
4.8
|
10.6
|
1.0
|
O
|
A:HIS591
|
4.8
|
17.0
|
1.0
|
OD2
|
A:ASP539
|
4.9
|
25.0
|
1.0
|
CA
|
A:GLN429
|
5.0
|
11.4
|
1.0
|
CA
|
A:LEU589
|
5.0
|
10.1
|
1.0
|
|
Potassium binding site 2 out
of 4 in 1pl0
Go back to
Potassium Binding Sites List in 1pl0
Potassium binding site 2 out
of 4 in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K1002
b:12.3
occ:1.00
|
O
|
B:VAL425
|
2.6
|
8.0
|
1.0
|
O
|
B:LEU589
|
2.6
|
9.9
|
1.0
|
O
|
B:THR428
|
2.6
|
12.4
|
1.0
|
OG
|
B:SER432
|
3.0
|
16.2
|
1.0
|
OD1
|
B:ASP539
|
3.1
|
13.1
|
1.0
|
OG
|
B:SER430
|
3.2
|
13.4
|
1.0
|
CB
|
B:HIS591
|
3.6
|
14.8
|
1.0
|
N
|
B:HIS591
|
3.6
|
12.8
|
1.0
|
CB
|
B:ASP539
|
3.7
|
16.0
|
1.0
|
C
|
B:THR428
|
3.7
|
11.3
|
1.0
|
C
|
B:LEU589
|
3.8
|
10.0
|
1.0
|
C
|
B:VAL425
|
3.8
|
10.4
|
1.0
|
CG
|
B:ASP539
|
3.8
|
18.6
|
1.0
|
C
|
B:PHE590
|
3.9
|
11.8
|
1.0
|
CA
|
B:PHE590
|
4.0
|
9.2
|
1.0
|
O
|
B:LYS426
|
4.1
|
9.3
|
1.0
|
CA
|
B:HIS591
|
4.2
|
14.3
|
1.0
|
N
|
B:THR428
|
4.2
|
7.6
|
1.0
|
CB
|
B:SER432
|
4.2
|
15.1
|
1.0
|
C
|
B:LYS426
|
4.3
|
7.9
|
1.0
|
CB
|
B:SER430
|
4.3
|
13.6
|
1.0
|
N
|
B:SER430
|
4.4
|
12.9
|
1.0
|
CA
|
B:THR428
|
4.4
|
7.8
|
1.0
|
N
|
B:PHE590
|
4.4
|
9.8
|
1.0
|
CA
|
B:LYS426
|
4.5
|
9.1
|
1.0
|
CB
|
B:THR428
|
4.5
|
8.5
|
1.0
|
C
|
B:GLN429
|
4.5
|
13.0
|
1.0
|
CA
|
B:SER430
|
4.6
|
13.5
|
1.0
|
N
|
B:LYS426
|
4.6
|
10.1
|
1.0
|
O
|
B:PHE590
|
4.6
|
10.6
|
1.0
|
CB
|
B:LEU589
|
4.8
|
10.9
|
1.0
|
O
|
B:HIS591
|
4.8
|
17.0
|
1.0
|
N
|
B:GLN429
|
4.8
|
11.9
|
1.0
|
CG
|
B:HIS591
|
4.8
|
15.7
|
1.0
|
CA
|
B:VAL425
|
4.8
|
11.3
|
1.0
|
CG2
|
B:VAL425
|
4.9
|
13.9
|
1.0
|
O
|
B:GLN429
|
4.9
|
9.2
|
1.0
|
CA
|
B:LEU589
|
4.9
|
10.2
|
1.0
|
CA
|
B:GLN429
|
5.0
|
12.0
|
1.0
|
|
Potassium binding site 3 out
of 4 in 1pl0
Go back to
Potassium Binding Sites List in 1pl0
Potassium binding site 3 out
of 4 in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K1003
b:17.7
occ:1.00
|
O
|
C:LEU589
|
2.4
|
14.8
|
1.0
|
O
|
C:VAL425
|
2.6
|
13.2
|
1.0
|
O
|
C:THR428
|
2.7
|
15.7
|
1.0
|
OG
|
C:SER432
|
3.0
|
23.6
|
1.0
|
OD1
|
C:ASP539
|
3.1
|
20.7
|
1.0
|
OG
|
C:SER430
|
3.4
|
13.8
|
1.0
|
N
|
C:HIS591
|
3.5
|
16.1
|
1.0
|
CB
|
C:ASP539
|
3.6
|
17.8
|
1.0
|
C
|
C:LEU589
|
3.6
|
12.8
|
1.0
|
CB
|
C:HIS591
|
3.7
|
15.4
|
1.0
|
C
|
C:VAL425
|
3.8
|
13.5
|
1.0
|
CG
|
C:ASP539
|
3.8
|
21.3
|
1.0
|
C
|
C:THR428
|
3.8
|
11.9
|
1.0
|
C
|
C:PHE590
|
4.0
|
15.8
|
1.0
|
CA
|
C:PHE590
|
4.0
|
13.5
|
1.0
|
CG1
|
C:VAL425
|
4.1
|
16.1
|
1.0
|
N
|
C:THR428
|
4.2
|
9.1
|
1.0
|
CA
|
C:HIS591
|
4.2
|
16.8
|
1.0
|
CB
|
C:SER432
|
4.2
|
19.5
|
1.0
|
N
|
C:PHE590
|
4.3
|
12.7
|
1.0
|
C
|
C:LYS426
|
4.4
|
10.2
|
1.0
|
CA
|
C:THR428
|
4.4
|
10.2
|
1.0
|
O
|
C:LYS426
|
4.5
|
10.7
|
1.0
|
N
|
C:SER430
|
4.5
|
13.6
|
1.0
|
CB
|
C:THR428
|
4.5
|
10.1
|
1.0
|
CA
|
C:LYS426
|
4.5
|
11.2
|
1.0
|
CB
|
C:LEU589
|
4.6
|
12.7
|
1.0
|
CB
|
C:SER430
|
4.6
|
14.9
|
1.0
|
N
|
C:LYS426
|
4.6
|
11.7
|
1.0
|
C
|
C:GLN429
|
4.7
|
12.9
|
1.0
|
CA
|
C:SER430
|
4.7
|
16.4
|
1.0
|
CA
|
C:VAL425
|
4.7
|
14.2
|
1.0
|
CA
|
C:LEU589
|
4.8
|
11.1
|
1.0
|
O
|
C:PHE590
|
4.8
|
19.3
|
1.0
|
N
|
C:GLN429
|
4.9
|
12.0
|
1.0
|
N
|
C:TYR427
|
4.9
|
8.5
|
1.0
|
O
|
C:GLN429
|
4.9
|
13.1
|
1.0
|
O
|
C:HIS591
|
5.0
|
18.4
|
1.0
|
|
Potassium binding site 4 out
of 4 in 1pl0
Go back to
Potassium Binding Sites List in 1pl0
Potassium binding site 4 out
of 4 in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor, BW2315U89UC within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K1004
b:17.6
occ:1.00
|
O
|
D:THR428
|
2.7
|
16.3
|
1.0
|
O
|
D:VAL425
|
2.7
|
16.8
|
1.0
|
OD1
|
D:ASP539
|
2.8
|
15.5
|
1.0
|
OG
|
D:SER432
|
2.8
|
26.1
|
1.0
|
O
|
D:LEU589
|
2.9
|
11.9
|
1.0
|
OG
|
D:SER430
|
3.0
|
17.4
|
1.0
|
N
|
D:HIS591
|
3.5
|
14.3
|
1.0
|
CG
|
D:ASP539
|
3.6
|
18.7
|
1.0
|
CB
|
D:ASP539
|
3.7
|
18.4
|
1.0
|
CB
|
D:HIS591
|
3.7
|
16.5
|
1.0
|
C
|
D:THR428
|
3.7
|
14.1
|
1.0
|
C
|
D:VAL425
|
3.8
|
15.1
|
1.0
|
C
|
D:LEU589
|
3.9
|
12.2
|
1.0
|
C
|
D:PHE590
|
4.0
|
12.9
|
1.0
|
CB
|
D:SER432
|
4.0
|
21.7
|
1.0
|
CA
|
D:PHE590
|
4.0
|
11.5
|
1.0
|
N
|
D:SER430
|
4.1
|
16.8
|
1.0
|
CB
|
D:SER430
|
4.2
|
15.8
|
1.0
|
CA
|
D:HIS591
|
4.2
|
15.7
|
1.0
|
CA
|
D:SER430
|
4.3
|
18.2
|
1.0
|
N
|
D:THR428
|
4.3
|
11.7
|
1.0
|
C
|
D:GLN429
|
4.3
|
16.7
|
1.0
|
CB
|
D:THR428
|
4.3
|
13.2
|
1.0
|
CA
|
D:THR428
|
4.4
|
13.0
|
1.0
|
N
|
D:PHE590
|
4.4
|
11.7
|
1.0
|
O
|
D:LYS426
|
4.6
|
14.5
|
1.0
|
CA
|
D:VAL425
|
4.6
|
14.7
|
1.0
|
C
|
D:LYS426
|
4.7
|
12.8
|
1.0
|
N
|
D:GLN429
|
4.7
|
15.7
|
1.0
|
O
|
D:GLN429
|
4.7
|
14.9
|
1.0
|
N
|
D:LYS426
|
4.7
|
13.7
|
1.0
|
CA
|
D:LYS426
|
4.7
|
12.3
|
1.0
|
CB
|
D:VAL425
|
4.8
|
15.7
|
1.0
|
CA
|
D:GLN429
|
4.8
|
16.8
|
1.0
|
O
|
D:HIS591
|
4.8
|
18.4
|
1.0
|
N
|
D:SER432
|
4.8
|
20.8
|
1.0
|
OD2
|
D:ASP539
|
4.8
|
17.4
|
1.0
|
O
|
D:PHE590
|
4.9
|
12.5
|
1.0
|
CG
|
D:HIS591
|
5.0
|
15.9
|
1.0
|
CA
|
D:SER432
|
5.0
|
21.6
|
1.0
|
|
Reference:
C.G.Cheong,
D.W.Wolan,
S.E.Greasley,
P.A.Horton,
G.P.Beardsley,
I.A.Wilson.
Crystal Structures of Human Bifunctional Enzyme Aminoimidazole-4-Carboxamide Ribonucleotide Transformylase/Imp Cyclohydrolase in Complex with Potent Sulfonyl-Containing Antifolates. J.Biol.Chem. V. 279 18034 2004.
ISSN: ISSN 0021-9258
PubMed: 14966129
DOI: 10.1074/JBC.M313691200
Page generated: Mon Aug 12 05:12:23 2024
|