Calcium in PDB 1c0g: Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H)
Protein crystallography data
The structure of Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H), PDB code: 1c0g
was solved by
Y.Matsuura,
M.Stewart,
M.Kawamoto,
N.Kamiya,
K.Saeki,
T.Yasunaga,
T.Wakabayashi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
56.862,
69.030,
181.500,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.2 /
22.3
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H)
(pdb code 1c0g). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the
Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H), PDB code: 1c0g:
Jump to Calcium binding site number:
1;
2;
3;
Calcium binding site 1 out
of 3 in 1c0g
Go back to
Calcium Binding Sites List in 1c0g
Calcium binding site 1 out
of 3 in the Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H)
 Mono view
 Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Ca128
b:17.1
occ:1.00
|
OD2
|
S:ASP44
|
2.3
|
15.6
|
1.0
|
OE2
|
S:GLU75
|
2.4
|
13.1
|
1.0
|
O
|
S:VAL123
|
2.4
|
15.8
|
1.0
|
O
|
S:GLY43
|
2.4
|
14.3
|
1.0
|
O
|
S:HOH139
|
2.4
|
2.2
|
1.0
|
O
|
S:HOH179
|
2.5
|
14.9
|
1.0
|
OE1
|
S:GLU75
|
2.5
|
15.0
|
1.0
|
CD
|
S:GLU75
|
2.8
|
13.7
|
1.0
|
C
|
S:GLY43
|
3.5
|
15.1
|
1.0
|
CG
|
S:ASP44
|
3.6
|
17.7
|
1.0
|
C
|
S:VAL123
|
3.6
|
21.2
|
1.0
|
N
|
S:VAL123
|
4.0
|
22.2
|
1.0
|
CA
|
S:ASP44
|
4.0
|
15.5
|
1.0
|
N
|
S:ASP44
|
4.1
|
15.2
|
1.0
|
O
|
S:HOH171
|
4.3
|
13.2
|
1.0
|
CG1
|
S:VAL123
|
4.3
|
22.4
|
1.0
|
CA
|
S:VAL123
|
4.3
|
23.2
|
1.0
|
CG
|
S:GLU75
|
4.3
|
10.2
|
1.0
|
CB
|
S:ASP44
|
4.4
|
15.3
|
1.0
|
OD1
|
S:ASP44
|
4.4
|
18.5
|
1.0
|
O
|
S:HOH159
|
4.4
|
22.2
|
1.0
|
C
|
S:GLY122
|
4.5
|
22.3
|
1.0
|
OG
|
S:SER72
|
4.5
|
14.9
|
1.0
|
CA
|
S:GLY43
|
4.5
|
13.4
|
1.0
|
N
|
S:ALA124
|
4.6
|
19.6
|
1.0
|
C
|
S:ALA124
|
4.6
|
17.4
|
1.0
|
N
|
S:SER72
|
4.7
|
13.2
|
1.0
|
CA
|
S:ALA124
|
4.7
|
17.0
|
1.0
|
O
|
S:HOH143
|
4.7
|
39.5
|
1.0
|
N
|
S:SER125
|
4.8
|
13.0
|
1.0
|
CA
|
S:CYS71
|
4.8
|
14.3
|
1.0
|
O
|
S:HOH161
|
4.8
|
34.1
|
1.0
|
O
|
S:ALA124
|
4.8
|
17.8
|
1.0
|
CA
|
S:GLY122
|
4.8
|
18.6
|
1.0
|
O
|
S:HOH172
|
4.8
|
18.9
|
1.0
|
CB
|
S:VAL123
|
4.9
|
22.7
|
1.0
|
|
Calcium binding site 2 out
of 3 in 1c0g
Go back to
Calcium Binding Sites List in 1c0g
Calcium binding site 2 out
of 3 in the Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H)
 Mono view
 Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Ca129
b:14.0
occ:1.00
|
O
|
S:ALA94
|
2.4
|
16.4
|
1.0
|
OE1
|
A:GLU167
|
2.4
|
14.1
|
1.0
|
O
|
S:HOH162
|
2.4
|
21.4
|
1.0
|
OD2
|
S:ASP87
|
2.5
|
15.8
|
1.0
|
O
|
S:GLY92
|
2.5
|
13.5
|
1.0
|
O
|
S:HOH130
|
2.6
|
17.9
|
1.0
|
OD1
|
S:ASP87
|
2.7
|
15.2
|
1.0
|
CG
|
S:ASP87
|
3.0
|
16.1
|
1.0
|
C
|
S:GLY92
|
3.3
|
12.9
|
1.0
|
CD
|
A:GLU167
|
3.5
|
16.2
|
1.0
|
C
|
S:ALA94
|
3.5
|
16.3
|
1.0
|
N
|
S:ALA94
|
4.0
|
16.0
|
1.0
|
CA
|
S:GLY92
|
4.0
|
13.7
|
1.0
|
OE2
|
A:GLU167
|
4.0
|
13.6
|
1.0
|
O
|
S:HOH216
|
4.1
|
44.3
|
1.0
|
O
|
A:HOH455
|
4.2
|
22.7
|
1.0
|
CA
|
S:ALA94
|
4.3
|
16.7
|
1.0
|
C
|
S:ARG93
|
4.3
|
18.1
|
1.0
|
N
|
S:ARG93
|
4.4
|
12.2
|
1.0
|
CB
|
S:ASP87
|
4.5
|
10.4
|
1.0
|
O
|
S:HOH232
|
4.5
|
34.5
|
1.0
|
N
|
S:VAL95
|
4.6
|
13.8
|
1.0
|
CA
|
S:ARG93
|
4.7
|
17.7
|
1.0
|
CG
|
A:GLU167
|
4.7
|
12.4
|
1.0
|
NE2
|
S:GLN96
|
4.7
|
10.0
|
1.0
|
O
|
A:HOH410
|
4.7
|
13.9
|
1.0
|
CB
|
A:GLU167
|
4.8
|
13.2
|
1.0
|
CA
|
S:VAL95
|
4.9
|
13.8
|
1.0
|
CB
|
S:ALA94
|
4.9
|
14.5
|
1.0
|
O
|
S:ARG93
|
4.9
|
17.8
|
1.0
|
|
Calcium binding site 3 out
of 3 in 1c0g
Go back to
Calcium Binding Sites List in 1c0g
Calcium binding site 3 out
of 3 in the Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H)
 Mono view
 Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of 1:1 Complex Between Gelsolin Segment 1 and A Dictyostelium/Tetrahymena Chimera Actin (Mutant 228: Q228K/T229A/A230Y/E360H) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca377
b:17.0
occ:1.00
|
O
|
A:HOH382
|
2.3
|
15.9
|
1.0
|
O2G
|
A:ATP376
|
2.3
|
18.0
|
1.0
|
O2B
|
A:ATP376
|
2.4
|
12.9
|
1.0
|
O
|
A:HOH378
|
2.4
|
15.3
|
1.0
|
O
|
A:HOH405
|
2.5
|
14.8
|
1.0
|
O
|
A:HOH439
|
2.5
|
17.8
|
1.0
|
O
|
A:HOH413
|
2.5
|
17.3
|
1.0
|
PG
|
A:ATP376
|
3.4
|
17.0
|
1.0
|
PB
|
A:ATP376
|
3.6
|
16.1
|
1.0
|
O3G
|
A:ATP376
|
3.9
|
12.9
|
1.0
|
O3B
|
A:ATP376
|
3.9
|
16.8
|
1.0
|
OE1
|
A:GLN137
|
4.1
|
16.9
|
1.0
|
O
|
A:HOH450
|
4.1
|
22.2
|
1.0
|
CA
|
A:GLY13
|
4.2
|
17.1
|
1.0
|
O
|
A:HOH468
|
4.2
|
32.6
|
1.0
|
O3A
|
A:ATP376
|
4.3
|
15.9
|
1.0
|
NZ
|
A:LYS18
|
4.4
|
14.7
|
1.0
|
O
|
A:HOH467
|
4.4
|
24.1
|
1.0
|
O2A
|
A:ATP376
|
4.4
|
17.1
|
1.0
|
CD
|
A:GLN137
|
4.5
|
17.5
|
1.0
|
OD1
|
A:ASP154
|
4.6
|
21.3
|
1.0
|
OD2
|
A:ASP11
|
4.7
|
12.5
|
1.0
|
O1G
|
A:ATP376
|
4.7
|
17.6
|
1.0
|
O1B
|
A:ATP376
|
4.8
|
14.3
|
1.0
|
OD1
|
A:ASP11
|
4.8
|
14.8
|
1.0
|
O
|
A:HOH493
|
4.8
|
29.2
|
1.0
|
PA
|
A:ATP376
|
4.9
|
17.9
|
1.0
|
OD2
|
A:ASP154
|
4.9
|
30.2
|
1.0
|
CG
|
A:GLN137
|
4.9
|
11.7
|
1.0
|
NE2
|
A:GLN137
|
5.0
|
10.1
|
1.0
|
O
|
A:ASN12
|
5.0
|
17.6
|
1.0
|
|
Reference:
Y.Matsuura,
M.Stewart,
M.Kawamoto,
N.Kamiya,
K.Saeki,
T.Yasunaga,
T.Wakabayashi.
Structural Basis For the Higher Ca(2+)-Activation of the Regulated Actin-Activated Myosin Atpase Observed with Dictyostelium/Tetrahymena Actin Chimeras. J.Mol.Biol. V. 296 579 2000.
ISSN: ISSN 0022-2836
PubMed: 10669610
DOI: 10.1006/JMBI.1999.3467
Page generated: Thu Jul 11 06:46:49 2024
|