Calcium in PDB 4i5k: PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz
Protein crystallography data
The structure of PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz, PDB code: 4i5k
was solved by
Y.Xing,
P.D.Jeffrey,
Y.Shi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.93 /
2.90
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
132.812,
109.086,
67.651,
90.00,
109.05,
90.00
|
R / Rfree (%)
|
20.7 /
25.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz
(pdb code 4i5k). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz, PDB code: 4i5k:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 4i5k
Go back to
Calcium Binding Sites List in 4i5k
Calcium binding site 1 out
of 4 in the PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:61.6
occ:1.00
|
OD1
|
A:ASP294
|
2.1
|
56.8
|
1.0
|
OD1
|
A:ASP290
|
2.2
|
48.7
|
1.0
|
O
|
A:TYR296
|
2.3
|
50.0
|
1.0
|
OD2
|
A:ASP292
|
2.3
|
95.7
|
1.0
|
OD2
|
A:ASP301
|
2.3
|
58.6
|
1.0
|
CG
|
A:ASP292
|
3.0
|
75.2
|
1.0
|
CG
|
A:ASP294
|
3.2
|
54.2
|
1.0
|
OD1
|
A:ASP292
|
3.3
|
87.8
|
1.0
|
CG
|
A:ASP301
|
3.3
|
60.8
|
1.0
|
CG
|
A:ASP290
|
3.4
|
48.0
|
1.0
|
C
|
A:TYR296
|
3.5
|
53.2
|
1.0
|
OD2
|
A:ASP294
|
3.6
|
72.8
|
1.0
|
OD1
|
A:ASP301
|
3.6
|
66.5
|
1.0
|
N
|
A:ASP294
|
4.1
|
39.0
|
1.0
|
CA
|
A:ASP290
|
4.1
|
45.5
|
1.0
|
N
|
A:TYR296
|
4.1
|
53.2
|
1.0
|
N
|
A:ASP292
|
4.2
|
57.1
|
1.0
|
OD2
|
A:ASP290
|
4.3
|
44.1
|
1.0
|
CB
|
A:ASP292
|
4.3
|
47.6
|
1.0
|
CB
|
A:ASP290
|
4.3
|
48.0
|
1.0
|
N
|
A:HIS293
|
4.4
|
43.1
|
1.0
|
C
|
A:ASP290
|
4.4
|
45.1
|
1.0
|
CA
|
A:TYR296
|
4.4
|
55.5
|
1.0
|
N
|
A:ILE297
|
4.4
|
55.0
|
1.0
|
CB
|
A:ASP294
|
4.4
|
43.2
|
1.0
|
CA
|
A:ILE297
|
4.4
|
48.6
|
1.0
|
N
|
A:SER298
|
4.5
|
51.0
|
1.0
|
CA
|
A:ASP292
|
4.5
|
46.2
|
1.0
|
C
|
A:ASP292
|
4.5
|
53.9
|
1.0
|
N
|
A:THR291
|
4.6
|
48.1
|
1.0
|
CB
|
A:ASP301
|
4.7
|
67.0
|
1.0
|
CA
|
A:ASP294
|
4.7
|
39.6
|
1.0
|
N
|
A:LEU295
|
4.7
|
45.0
|
1.0
|
OG
|
A:SER298
|
4.8
|
51.3
|
1.0
|
O
|
A:ASP290
|
4.9
|
55.8
|
1.0
|
C
|
A:ILE297
|
4.9
|
46.6
|
1.0
|
C
|
A:ASP294
|
4.9
|
48.4
|
1.0
|
CB
|
A:TYR296
|
4.9
|
53.2
|
1.0
|
|
Calcium binding site 2 out
of 4 in 4i5k
Go back to
Calcium Binding Sites List in 4i5k
Calcium binding site 2 out
of 4 in the PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:63.0
occ:1.00
|
O
|
A:VAL370
|
2.0
|
32.8
|
1.0
|
OD1
|
A:ASP368
|
2.3
|
93.6
|
1.0
|
OE1
|
A:GLU375
|
2.4
|
55.5
|
1.0
|
OD1
|
A:ASP364
|
2.4
|
58.1
|
1.0
|
OE2
|
A:GLU375
|
2.4
|
35.0
|
1.0
|
OD1
|
A:ASP366
|
2.4
|
67.9
|
1.0
|
CD
|
A:GLU375
|
2.7
|
60.8
|
1.0
|
CG
|
A:ASP368
|
2.9
|
89.5
|
1.0
|
OD2
|
A:ASP368
|
3.0
|
0.2
|
1.0
|
CG
|
A:ASP366
|
3.1
|
66.4
|
1.0
|
OD2
|
A:ASP366
|
3.2
|
74.2
|
1.0
|
C
|
A:VAL370
|
3.3
|
56.6
|
1.0
|
CG
|
A:ASP364
|
3.5
|
61.3
|
1.0
|
N
|
A:SER372
|
4.0
|
74.3
|
1.0
|
CA
|
A:ASP364
|
4.1
|
54.8
|
1.0
|
CA
|
A:LEU371
|
4.1
|
50.4
|
1.0
|
N
|
A:LEU371
|
4.1
|
45.0
|
1.0
|
CG
|
A:GLU375
|
4.2
|
47.4
|
1.0
|
N
|
A:VAL370
|
4.2
|
61.5
|
1.0
|
CB
|
A:ASP364
|
4.3
|
56.2
|
1.0
|
OG
|
A:SER372
|
4.3
|
67.1
|
1.0
|
CA
|
A:VAL370
|
4.3
|
63.1
|
1.0
|
CB
|
A:ASP368
|
4.3
|
64.3
|
1.0
|
N
|
A:ASP368
|
4.3
|
62.8
|
1.0
|
OD2
|
A:ASP364
|
4.4
|
71.2
|
1.0
|
CG2
|
A:VAL370
|
4.4
|
82.4
|
1.0
|
C
|
A:ASP364
|
4.4
|
60.4
|
1.0
|
N
|
A:ASP366
|
4.5
|
67.7
|
1.0
|
N
|
A:VAL365
|
4.5
|
54.6
|
1.0
|
CB
|
A:ASP366
|
4.5
|
53.6
|
1.0
|
C
|
A:LEU371
|
4.6
|
63.6
|
1.0
|
N
|
A:GLY367
|
4.6
|
60.2
|
1.0
|
CB
|
A:SER372
|
4.7
|
62.4
|
1.0
|
CA
|
A:ASP368
|
4.8
|
61.8
|
1.0
|
CD2
|
A:LEU371
|
4.9
|
74.1
|
1.0
|
N
|
A:GLY369
|
4.9
|
65.8
|
1.0
|
CA
|
A:ASP366
|
4.9
|
62.2
|
1.0
|
CA
|
A:SER372
|
5.0
|
58.8
|
1.0
|
CB
|
A:GLU375
|
5.0
|
45.4
|
1.0
|
|
Calcium binding site 3 out
of 4 in 4i5k
Go back to
Calcium Binding Sites List in 4i5k
Calcium binding site 3 out
of 4 in the PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca501
b:98.0
occ:0.50
|
OD1
|
B:ASP294
|
2.4
|
94.6
|
1.0
|
O
|
B:TYR296
|
2.4
|
99.2
|
1.0
|
OD1
|
B:ASP290
|
2.5
|
0.2
|
1.0
|
OD2
|
B:ASP292
|
2.5
|
0.1
|
1.0
|
OD2
|
B:ASP294
|
2.6
|
84.4
|
1.0
|
OD2
|
B:ASP301
|
2.7
|
0.2
|
1.0
|
CG
|
B:ASP294
|
2.8
|
96.5
|
1.0
|
CG
|
B:ASP292
|
3.6
|
0.2
|
1.0
|
CG
|
B:ASP290
|
3.6
|
99.5
|
1.0
|
C
|
B:TYR296
|
3.6
|
96.3
|
1.0
|
CA
|
B:ASP290
|
3.7
|
0.6
|
1.0
|
CG
|
B:ASP301
|
3.9
|
0.3
|
1.0
|
OD1
|
B:ASP292
|
4.0
|
0.1
|
1.0
|
CB
|
B:ASP290
|
4.2
|
0.3
|
1.0
|
CA
|
B:ILE297
|
4.2
|
93.0
|
1.0
|
C
|
B:ASP290
|
4.3
|
0.5
|
1.0
|
CB
|
B:ASP294
|
4.3
|
0.4
|
1.0
|
N
|
B:THR291
|
4.4
|
0.2
|
1.0
|
N
|
B:ILE297
|
4.4
|
95.6
|
1.0
|
O
|
B:LEU289
|
4.5
|
86.5
|
1.0
|
N
|
B:SER298
|
4.5
|
89.3
|
1.0
|
N
|
B:ASP292
|
4.5
|
0.1
|
1.0
|
NH2
|
B:ARG334
|
4.6
|
0.7
|
1.0
|
OD1
|
B:ASP301
|
4.6
|
0.4
|
1.0
|
OD2
|
B:ASP290
|
4.7
|
74.7
|
1.0
|
N
|
B:ASP290
|
4.7
|
0.5
|
1.0
|
CD1
|
B:ILE297
|
4.7
|
0.5
|
1.0
|
N
|
B:ASP294
|
4.7
|
0.8
|
1.0
|
CA
|
B:TYR296
|
4.8
|
95.1
|
1.0
|
N
|
B:TYR296
|
4.8
|
97.0
|
1.0
|
C
|
B:ILE297
|
4.8
|
84.8
|
1.0
|
CB
|
B:ASP301
|
4.8
|
1.0
|
1.0
|
CB
|
B:ASP292
|
4.9
|
94.0
|
1.0
|
C
|
B:LEU289
|
5.0
|
80.8
|
1.0
|
|
Calcium binding site 4 out
of 4 in 4i5k
Go back to
Calcium Binding Sites List in 4i5k
Calcium binding site 4 out
of 4 in the PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of PP2A PR70 Holoenzyme MODEL3_DICA_RCSB.Pdb BPPNAT5_EXTEND.Mtz within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca502
b:60.5
occ:1.00
|
O
|
B:VAL370
|
2.3
|
41.8
|
1.0
|
OD1
|
B:ASP366
|
2.3
|
73.6
|
1.0
|
OD1
|
B:ASP364
|
2.3
|
73.1
|
1.0
|
OD1
|
B:ASP368
|
2.4
|
0.7
|
1.0
|
OE1
|
B:GLU375
|
2.4
|
52.1
|
1.0
|
OE2
|
B:GLU375
|
2.5
|
44.2
|
1.0
|
CD
|
B:GLU375
|
2.7
|
43.8
|
1.0
|
CG
|
B:ASP368
|
3.0
|
88.9
|
1.0
|
OD2
|
B:ASP368
|
3.0
|
98.3
|
1.0
|
CG
|
B:ASP366
|
3.0
|
62.2
|
1.0
|
OD2
|
B:ASP366
|
3.1
|
60.9
|
1.0
|
CG
|
B:ASP364
|
3.5
|
69.8
|
1.0
|
C
|
B:VAL370
|
3.5
|
48.9
|
1.0
|
N
|
B:SER372
|
4.0
|
52.4
|
1.0
|
CG
|
B:GLU375
|
4.2
|
36.2
|
1.0
|
OG
|
B:SER372
|
4.2
|
48.8
|
1.0
|
CA
|
B:ASP364
|
4.2
|
50.1
|
1.0
|
OD2
|
B:ASP364
|
4.3
|
64.6
|
1.0
|
CA
|
B:LEU371
|
4.3
|
48.5
|
1.0
|
N
|
B:ASP368
|
4.3
|
56.7
|
1.0
|
CB
|
B:ASP368
|
4.4
|
73.5
|
1.0
|
CB
|
B:ASP364
|
4.4
|
61.9
|
1.0
|
N
|
B:LEU371
|
4.4
|
49.0
|
1.0
|
N
|
B:ASP366
|
4.4
|
65.3
|
1.0
|
N
|
B:VAL370
|
4.4
|
48.9
|
1.0
|
CB
|
B:ASP366
|
4.4
|
56.7
|
1.0
|
CA
|
B:VAL370
|
4.5
|
59.4
|
1.0
|
C
|
B:ASP364
|
4.6
|
52.6
|
1.0
|
N
|
B:GLY367
|
4.6
|
72.1
|
1.0
|
CB
|
B:SER372
|
4.6
|
46.0
|
1.0
|
N
|
B:VAL365
|
4.6
|
60.6
|
1.0
|
C
|
B:LEU371
|
4.7
|
52.2
|
1.0
|
CA
|
B:ASP366
|
4.8
|
68.4
|
1.0
|
CA
|
B:ASP368
|
4.8
|
68.2
|
1.0
|
CA
|
B:SER372
|
5.0
|
38.2
|
1.0
|
|
Reference:
N.Wlodarchak,
F.Guo,
K.A.Satyshur,
L.Jiang,
P.D.Jeffrey,
T.Sun,
V.Stanevich,
M.C.Mumby,
Y.Xing.
Structure of the Ca(2+)-Dependent PP2A Heterotrimer and Insights Into CDC6 Dephosphorylation. Cell Res. V. 23 931 2013.
ISSN: ISSN 1001-0602
PubMed: 23752926
DOI: 10.1038/CR.2013.77
Page generated: Sun Jul 14 08:00:33 2024
|