Phosphorus in PDB 1akh: Mat A1/ALPHA2/Dna Ternary Complex
Protein crystallography data
The structure of Mat A1/ALPHA2/Dna Ternary Complex, PDB code: 1akh
was solved by
T.Li,
Y.Jin,
A.K.Vershon,
C.Wolberger,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
6.00 /
2.50
|
Space group
|
P 61
|
Cell size a, b, c (Å), α, β, γ (°)
|
132.250,
132.250,
45.250,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
20.1 /
30.2
|
Phosphorus Binding Sites:
Phosphorus binding site 1 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 1 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 1 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P2
b:55.7
occ:1.00
|
P
|
C:DA2
|
0.0
|
55.7
|
1.0
|
OP1
|
C:DA2
|
1.5
|
51.5
|
1.0
|
OP2
|
C:DA2
|
1.5
|
54.0
|
1.0
|
O5'
|
C:DA2
|
1.6
|
47.3
|
1.0
|
O3'
|
C:DT1
|
1.6
|
45.6
|
1.0
|
C5'
|
C:DA2
|
2.6
|
39.2
|
1.0
|
C3'
|
C:DT1
|
2.6
|
36.8
|
1.0
|
C2'
|
C:DT1
|
3.5
|
30.8
|
1.0
|
C4'
|
C:DA2
|
3.8
|
38.9
|
1.0
|
C4'
|
C:DT1
|
3.9
|
29.9
|
1.0
|
O4'
|
C:DA2
|
4.0
|
31.8
|
1.0
|
C8
|
C:DA2
|
4.2
|
22.8
|
1.0
|
C3'
|
C:DA2
|
4.4
|
39.3
|
1.0
|
C5'
|
C:DT1
|
4.6
|
35.8
|
1.0
|
C2'
|
C:DA2
|
4.7
|
38.7
|
1.0
|
C1'
|
C:DT1
|
4.8
|
25.2
|
1.0
|
C1'
|
C:DA2
|
4.9
|
29.9
|
1.0
|
O4'
|
C:DT1
|
4.9
|
20.2
|
1.0
|
N9
|
C:DA2
|
5.0
|
27.6
|
1.0
|
|
Phosphorus binding site 2 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 2 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 2 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P3
b:45.9
occ:1.00
|
P
|
C:DC3
|
0.0
|
45.9
|
1.0
|
OP2
|
C:DC3
|
1.5
|
50.3
|
1.0
|
OP1
|
C:DC3
|
1.5
|
50.4
|
1.0
|
O5'
|
C:DC3
|
1.6
|
35.1
|
1.0
|
O3'
|
C:DA2
|
1.6
|
45.0
|
1.0
|
C5'
|
C:DC3
|
2.6
|
31.5
|
1.0
|
C3'
|
C:DA2
|
2.6
|
39.3
|
1.0
|
NZ
|
B:LYS177
|
3.2
|
40.4
|
1.0
|
C2'
|
C:DA2
|
3.2
|
38.7
|
1.0
|
O
|
C:HOH600
|
3.5
|
36.7
|
1.0
|
O
|
B:HOH601
|
3.6
|
37.1
|
1.0
|
NH2
|
B:ARG184
|
3.9
|
23.0
|
1.0
|
C4'
|
C:DC3
|
3.9
|
30.1
|
1.0
|
C4'
|
C:DA2
|
3.9
|
38.9
|
1.0
|
CE
|
B:LYS177
|
4.2
|
48.6
|
1.0
|
C3'
|
C:DC3
|
4.3
|
29.3
|
1.0
|
C1'
|
C:DA2
|
4.3
|
29.9
|
1.0
|
O4'
|
C:DC3
|
4.5
|
29.6
|
1.0
|
CZ
|
B:ARG184
|
4.6
|
20.4
|
1.0
|
NH1
|
B:ARG184
|
4.6
|
13.9
|
1.0
|
C6
|
C:DC3
|
4.7
|
17.9
|
1.0
|
O4'
|
C:DA2
|
4.7
|
31.8
|
1.0
|
CD2
|
B:TYR156
|
4.8
|
15.2
|
1.0
|
|
Phosphorus binding site 3 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 3 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 3 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P4
b:34.7
occ:1.00
|
P
|
C:DA4
|
0.0
|
34.7
|
1.0
|
OP1
|
C:DA4
|
1.5
|
33.9
|
1.0
|
OP2
|
C:DA4
|
1.5
|
28.0
|
1.0
|
O5'
|
C:DA4
|
1.6
|
28.0
|
1.0
|
O3'
|
C:DC3
|
1.6
|
25.3
|
1.0
|
C3'
|
C:DC3
|
2.6
|
29.3
|
1.0
|
C5'
|
C:DA4
|
2.6
|
27.0
|
1.0
|
C2'
|
C:DC3
|
3.1
|
35.7
|
1.0
|
NE
|
B:ARG184
|
3.7
|
13.3
|
1.0
|
CE2
|
B:TYR156
|
3.9
|
10.2
|
1.0
|
C4'
|
C:DA4
|
3.9
|
25.7
|
1.0
|
C4'
|
C:DC3
|
3.9
|
30.1
|
1.0
|
NH2
|
B:ARG184
|
3.9
|
23.0
|
1.0
|
C8
|
C:DA4
|
4.1
|
19.3
|
1.0
|
O
|
C:HOH617
|
4.1
|
3.2
|
0.5
|
OH
|
B:TYR156
|
4.1
|
26.5
|
1.0
|
CZ
|
B:ARG184
|
4.3
|
20.4
|
1.0
|
O4'
|
C:DA4
|
4.3
|
26.9
|
1.0
|
O
|
B:HOH604
|
4.4
|
21.9
|
1.0
|
O
|
C:HOH602
|
4.4
|
14.2
|
0.9
|
C1'
|
C:DC3
|
4.4
|
27.4
|
1.0
|
CZ
|
B:TYR156
|
4.5
|
12.1
|
1.0
|
O
|
B:HOH605
|
4.5
|
33.5
|
1.0
|
C3'
|
C:DA4
|
4.5
|
22.6
|
1.0
|
CD
|
B:ARG184
|
4.7
|
20.2
|
1.0
|
C2'
|
C:DA4
|
4.7
|
25.5
|
1.0
|
O5'
|
C:DC3
|
4.8
|
35.1
|
1.0
|
O4'
|
C:DC3
|
4.8
|
29.6
|
1.0
|
N9
|
C:DA4
|
4.8
|
17.2
|
1.0
|
C5'
|
C:DC3
|
4.8
|
31.5
|
1.0
|
N7
|
C:DA4
|
4.9
|
18.0
|
1.0
|
C1'
|
C:DA4
|
4.9
|
22.2
|
1.0
|
CD2
|
B:TYR156
|
4.9
|
15.2
|
1.0
|
|
Phosphorus binding site 4 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 4 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 4 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P5
b:34.3
occ:1.00
|
P
|
C:DT5
|
0.0
|
34.3
|
1.0
|
OP1
|
C:DT5
|
1.5
|
26.8
|
1.0
|
OP2
|
C:DT5
|
1.5
|
33.6
|
1.0
|
O5'
|
C:DT5
|
1.6
|
33.9
|
1.0
|
O3'
|
C:DA4
|
1.6
|
24.7
|
1.0
|
C5'
|
C:DT5
|
2.5
|
30.6
|
1.0
|
C3'
|
C:DA4
|
2.6
|
22.6
|
1.0
|
C2'
|
C:DA4
|
3.2
|
25.5
|
1.0
|
O
|
C:HOH606
|
3.8
|
35.8
|
1.0
|
C4'
|
C:DT5
|
3.8
|
26.4
|
1.0
|
C4'
|
C:DA4
|
3.9
|
25.7
|
1.0
|
NZ
|
B:LYS188
|
3.9
|
49.8
|
1.0
|
C1'
|
C:DA4
|
4.1
|
22.2
|
1.0
|
O4'
|
C:DT5
|
4.3
|
27.6
|
1.0
|
C3'
|
C:DT5
|
4.4
|
23.7
|
1.0
|
O4'
|
C:DA4
|
4.5
|
26.9
|
1.0
|
C2'
|
C:DT5
|
4.8
|
20.7
|
1.0
|
CE
|
B:LYS188
|
4.9
|
45.2
|
1.0
|
|
Phosphorus binding site 5 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 5 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 5 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P6
b:36.6
occ:1.00
|
P
|
C:DG6
|
0.0
|
36.6
|
1.0
|
OP2
|
C:DG6
|
1.5
|
40.6
|
1.0
|
OP1
|
C:DG6
|
1.5
|
40.8
|
1.0
|
O5'
|
C:DG6
|
1.6
|
38.9
|
1.0
|
O3'
|
C:DT5
|
1.6
|
31.7
|
1.0
|
C5'
|
C:DG6
|
2.6
|
31.8
|
1.0
|
C3'
|
C:DT5
|
2.6
|
23.7
|
1.0
|
C2'
|
C:DT5
|
3.4
|
20.7
|
1.0
|
C4'
|
C:DT5
|
3.8
|
26.4
|
1.0
|
C4'
|
C:DG6
|
3.9
|
34.5
|
1.0
|
C1'
|
C:DT5
|
4.3
|
21.1
|
1.0
|
C3'
|
C:DG6
|
4.4
|
32.9
|
1.0
|
O4'
|
C:DT5
|
4.7
|
27.6
|
1.0
|
O4'
|
C:DG6
|
4.8
|
31.7
|
1.0
|
C5'
|
C:DT5
|
4.9
|
30.6
|
1.0
|
|
Phosphorus binding site 6 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 6 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 6 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P7
b:48.0
occ:1.00
|
P
|
C:DT7
|
0.0
|
48.0
|
1.0
|
OP1
|
C:DT7
|
1.5
|
46.6
|
1.0
|
OP2
|
C:DT7
|
1.5
|
42.7
|
1.0
|
O5'
|
C:DT7
|
1.6
|
43.2
|
1.0
|
O3'
|
C:DG6
|
1.6
|
41.7
|
1.0
|
C5'
|
C:DT7
|
2.6
|
43.5
|
1.0
|
C3'
|
C:DG6
|
2.7
|
32.9
|
1.0
|
C2'
|
C:DG6
|
3.1
|
33.2
|
1.0
|
C4'
|
C:DT7
|
3.9
|
38.3
|
1.0
|
C4'
|
C:DG6
|
4.0
|
34.5
|
1.0
|
C1'
|
C:DG6
|
4.2
|
18.7
|
1.0
|
O4'
|
C:DT7
|
4.3
|
40.7
|
1.0
|
C3'
|
C:DT7
|
4.3
|
40.8
|
1.0
|
C2'
|
C:DT7
|
4.5
|
38.2
|
1.0
|
C6
|
C:DT7
|
4.6
|
19.9
|
1.0
|
O4'
|
C:DG6
|
4.7
|
31.7
|
1.0
|
C1'
|
C:DT7
|
4.9
|
30.2
|
1.0
|
|
Phosphorus binding site 7 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 7 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 7 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P8
b:33.9
occ:1.00
|
P
|
C:DA8
|
0.0
|
33.9
|
1.0
|
OP1
|
C:DA8
|
1.5
|
44.9
|
1.0
|
OP2
|
C:DA8
|
1.5
|
38.8
|
1.0
|
O5'
|
C:DA8
|
1.6
|
36.2
|
1.0
|
O3'
|
C:DT7
|
1.6
|
44.4
|
1.0
|
C5'
|
C:DA8
|
2.6
|
30.4
|
1.0
|
C3'
|
C:DT7
|
2.7
|
40.8
|
1.0
|
C2'
|
C:DT7
|
3.3
|
38.2
|
1.0
|
C4'
|
C:DA8
|
3.9
|
33.5
|
1.0
|
C4'
|
C:DT7
|
4.0
|
38.3
|
1.0
|
C1'
|
C:DT7
|
4.1
|
30.2
|
1.0
|
C3'
|
C:DA8
|
4.1
|
36.1
|
1.0
|
C2'
|
C:DA8
|
4.4
|
28.4
|
1.0
|
O4'
|
C:DT7
|
4.6
|
40.7
|
1.0
|
O4'
|
C:DA8
|
4.7
|
32.5
|
1.0
|
C8
|
C:DA8
|
4.7
|
12.2
|
1.0
|
|
Phosphorus binding site 8 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 8 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 8 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P9
b:45.8
occ:1.00
|
P
|
C:DA9
|
0.0
|
45.8
|
1.0
|
OP1
|
C:DA9
|
1.5
|
40.2
|
1.0
|
OP2
|
C:DA9
|
1.5
|
31.7
|
1.0
|
O5'
|
C:DA9
|
1.6
|
41.9
|
1.0
|
O3'
|
C:DA8
|
1.6
|
42.4
|
1.0
|
C5'
|
C:DA9
|
2.6
|
33.1
|
1.0
|
C3'
|
C:DA8
|
2.6
|
36.1
|
1.0
|
C2'
|
C:DA8
|
3.3
|
28.4
|
1.0
|
C4'
|
C:DA8
|
3.9
|
33.5
|
1.0
|
C4'
|
C:DA9
|
3.9
|
29.5
|
1.0
|
C1'
|
C:DA8
|
4.1
|
22.5
|
1.0
|
C3'
|
C:DA9
|
4.2
|
30.6
|
1.0
|
O4'
|
C:DA9
|
4.3
|
34.7
|
1.0
|
C2'
|
C:DA9
|
4.4
|
23.1
|
1.0
|
O4'
|
C:DA8
|
4.4
|
32.5
|
1.0
|
NH1
|
B:ARG132
|
4.7
|
49.3
|
1.0
|
C1'
|
C:DA9
|
4.9
|
24.7
|
1.0
|
|
Phosphorus binding site 9 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 9 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 9 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P10
b:41.7
occ:1.00
|
P
|
C:DA10
|
0.0
|
41.7
|
1.0
|
OP1
|
C:DA10
|
1.5
|
39.4
|
1.0
|
OP2
|
C:DA10
|
1.5
|
30.5
|
1.0
|
O5'
|
C:DA10
|
1.6
|
36.4
|
1.0
|
O3'
|
C:DA9
|
1.6
|
33.8
|
1.0
|
C5'
|
C:DA10
|
2.6
|
35.3
|
1.0
|
C3'
|
C:DA9
|
2.6
|
30.6
|
1.0
|
C2'
|
C:DA9
|
3.4
|
23.1
|
1.0
|
C4'
|
C:DA10
|
3.7
|
24.8
|
1.0
|
C4'
|
C:DA9
|
3.9
|
29.5
|
1.0
|
O4'
|
C:DA10
|
4.0
|
25.4
|
1.0
|
O
|
C:HOH650
|
4.0
|
50.1
|
1.0
|
C1'
|
C:DA9
|
4.3
|
24.7
|
1.0
|
O4'
|
C:DA9
|
4.7
|
34.7
|
1.0
|
C5'
|
C:DA9
|
4.9
|
33.1
|
1.0
|
|
Phosphorus binding site 10 out
of 40 in 1akh
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Phosphorus Binding Sites List in 1akh
Phosphorus binding site 10 out
of 40 in the Mat A1/ALPHA2/Dna Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 10 of Mat A1/ALPHA2/Dna Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P11
b:31.2
occ:1.00
|
P
|
C:DA11
|
0.0
|
31.2
|
1.0
|
OP2
|
C:DA11
|
1.5
|
32.8
|
1.0
|
OP1
|
C:DA11
|
1.5
|
28.2
|
1.0
|
O3'
|
C:DA10
|
1.6
|
28.2
|
1.0
|
O5'
|
C:DA11
|
1.6
|
34.8
|
1.0
|
C3'
|
C:DA10
|
2.6
|
26.7
|
1.0
|
C5'
|
C:DA11
|
2.6
|
26.0
|
1.0
|
C2'
|
C:DA10
|
3.4
|
27.5
|
1.0
|
C4'
|
C:DA10
|
3.8
|
24.8
|
1.0
|
C4'
|
C:DA11
|
3.9
|
22.5
|
1.0
|
CE2
|
B:TYR131
|
4.0
|
10.7
|
1.0
|
OH
|
B:TYR131
|
4.1
|
17.3
|
1.0
|
O
|
C:HOH650
|
4.2
|
50.1
|
1.0
|
C3'
|
C:DA11
|
4.3
|
20.6
|
1.0
|
O4'
|
C:DA11
|
4.5
|
17.6
|
1.0
|
CZ
|
B:TYR131
|
4.5
|
17.4
|
1.0
|
C2'
|
C:DA11
|
4.5
|
12.6
|
1.0
|
C1'
|
C:DA10
|
4.6
|
21.2
|
1.0
|
C5'
|
C:DA10
|
4.6
|
35.3
|
1.0
|
O4'
|
C:DA10
|
4.8
|
25.4
|
1.0
|
|
Reference:
T.Li,
Y.Jin,
A.K.Vershon,
C.Wolberger.
Crystal Structure of the MATA1/MATALPHA2 Homeodomain Heterodimer in Complex with Dna Containing An A-Tract. Nucleic Acids Res. V. 26 5707 1998.
ISSN: ISSN 0305-1048
PubMed: 9838003
DOI: 10.1093/NAR/26.24.5707
Page generated: Fri Sep 25 13:05:20 2020
|