Calcium in PDB 2fh3: C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Protein crystallography data
The structure of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8, PDB code: 2fh3
was solved by
S.Chumnarnsilpa,
A.Loonchanta,
B.Xue,
H.Choe,
D.Urosev,
H.Wang,
L.D.Burtnick,
R.C.Robinson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
27.07 /
2.87
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
85.107,
90.526,
156.584,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20 /
26.2
|
Calcium Binding Sites:
The binding sites of Calcium atom in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
(pdb code 2fh3). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the
C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8, PDB code: 2fh3:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Calcium binding site 1 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 1 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1001
b:33.1
occ:1.00
|
OE1
|
A:GLU475
|
2.1
|
26.5
|
1.0
|
O
|
A:GLY444
|
2.2
|
18.4
|
1.0
|
O
|
A:THR524
|
2.2
|
26.1
|
1.0
|
OD1
|
A:ASP445
|
2.4
|
18.9
|
1.0
|
CD
|
A:GLU475
|
2.9
|
25.7
|
1.0
|
OE2
|
A:GLU475
|
3.0
|
27.4
|
1.0
|
C
|
A:GLY444
|
3.2
|
18.0
|
1.0
|
C
|
A:THR524
|
3.5
|
26.1
|
1.0
|
CG
|
A:ASP445
|
3.6
|
18.1
|
1.0
|
N
|
A:THR524
|
3.9
|
24.3
|
1.0
|
CA
|
A:ASP445
|
3.9
|
18.0
|
1.0
|
N
|
A:ASP445
|
4.0
|
18.0
|
1.0
|
CA
|
A:GLY444
|
4.1
|
17.8
|
1.0
|
CA
|
A:THR524
|
4.3
|
25.3
|
1.0
|
CG
|
A:GLU475
|
4.3
|
25.1
|
1.0
|
CB
|
A:ASP445
|
4.4
|
18.0
|
1.0
|
N
|
A:SER525
|
4.5
|
27.3
|
1.0
|
OD2
|
A:ASP445
|
4.5
|
17.6
|
1.0
|
C
|
A:GLY523
|
4.6
|
23.5
|
1.0
|
CA
|
A:SER525
|
4.7
|
28.4
|
1.0
|
CB
|
A:SER525
|
4.8
|
28.3
|
1.0
|
CA
|
A:GLY523
|
4.8
|
22.9
|
1.0
|
CG2
|
A:THR472
|
5.0
|
24.8
|
1.0
|
|
Calcium binding site 2 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 2 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1002
b:29.2
occ:1.00
|
OD1
|
A:ASN564
|
2.1
|
22.0
|
1.0
|
O
|
A:ASN564
|
2.2
|
19.8
|
1.0
|
OD1
|
A:ASP565
|
2.2
|
16.5
|
1.0
|
OE2
|
A:GLU587
|
2.2
|
26.1
|
1.0
|
OE1
|
A:GLU587
|
2.6
|
25.2
|
1.0
|
CD
|
A:GLU587
|
2.8
|
25.1
|
1.0
|
CG
|
A:ASN564
|
3.2
|
20.4
|
1.0
|
C
|
A:ASN564
|
3.2
|
19.5
|
1.0
|
CG
|
A:ASP565
|
3.4
|
17.5
|
1.0
|
CA
|
A:ASP565
|
3.9
|
18.3
|
1.0
|
N
|
A:ASP565
|
4.0
|
19.1
|
1.0
|
ND2
|
A:ASN564
|
4.0
|
20.7
|
1.0
|
CB
|
A:ASN564
|
4.1
|
19.9
|
1.0
|
CB
|
A:ASP565
|
4.2
|
18.0
|
1.0
|
CA
|
A:ASN564
|
4.2
|
19.8
|
1.0
|
CG
|
A:GLU587
|
4.3
|
25.0
|
1.0
|
O
|
A:GLY582
|
4.3
|
25.0
|
1.0
|
OD2
|
A:ASP565
|
4.4
|
16.6
|
1.0
|
O
|
A:HOH161
|
4.4
|
30.3
|
1.0
|
CG
|
A:ARG542
|
4.6
|
19.0
|
1.0
|
O
|
A:ALA543
|
4.6
|
22.0
|
1.0
|
NE
|
A:ARG542
|
4.7
|
17.4
|
1.0
|
CA
|
A:ALA583
|
4.7
|
24.4
|
1.0
|
N
|
A:SER584
|
4.9
|
24.3
|
1.0
|
N
|
A:ALA543
|
4.9
|
20.8
|
1.0
|
CB
|
A:ARG542
|
5.0
|
19.2
|
1.0
|
CA
|
A:ARG542
|
5.0
|
19.5
|
1.0
|
C
|
A:GLY582
|
5.0
|
24.8
|
1.0
|
|
Calcium binding site 3 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 3 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1003
b:29.3
occ:1.00
|
OE2
|
A:GLU692
|
2.2
|
33.0
|
1.0
|
O
|
A:ASP669
|
2.3
|
25.6
|
1.0
|
OD2
|
A:ASP670
|
2.4
|
24.9
|
1.0
|
OE1
|
A:GLU692
|
2.6
|
34.2
|
1.0
|
CD
|
A:GLU692
|
2.8
|
33.7
|
1.0
|
C
|
A:ASP669
|
3.5
|
25.2
|
1.0
|
CG
|
A:ASP670
|
3.6
|
25.0
|
1.0
|
CA
|
A:ASP670
|
4.1
|
25.1
|
1.0
|
OG
|
A:SER646
|
4.1
|
35.9
|
1.0
|
N
|
A:ASP670
|
4.2
|
24.9
|
1.0
|
CG
|
A:GLU692
|
4.3
|
33.5
|
1.0
|
ND2
|
A:ASN647
|
4.3
|
36.0
|
1.0
|
CB
|
A:ASP670
|
4.4
|
25.0
|
1.0
|
OD1
|
A:ASP670
|
4.4
|
25.1
|
1.0
|
CB
|
A:ASP669
|
4.5
|
25.6
|
1.0
|
CA
|
A:ASP669
|
4.6
|
25.5
|
1.0
|
CG
|
A:ASP669
|
4.6
|
26.8
|
1.0
|
CA
|
A:SER688
|
4.6
|
29.5
|
1.0
|
OD2
|
A:ASP669
|
4.7
|
28.3
|
1.0
|
O
|
A:ASP687
|
4.7
|
28.4
|
1.0
|
N
|
A:ASN647
|
4.8
|
36.5
|
1.0
|
N
|
A:GLN689
|
4.8
|
30.1
|
1.0
|
CB
|
A:LYS648
|
4.9
|
38.8
|
1.0
|
CG
|
A:GLN689
|
4.9
|
28.0
|
1.0
|
N
|
A:LYS648
|
5.0
|
38.1
|
1.0
|
|
Calcium binding site 4 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 4 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2001
b:30.7
occ:1.00
|
O
|
B:THR524
|
2.2
|
25.6
|
1.0
|
O
|
B:GLY444
|
2.3
|
19.9
|
1.0
|
OD1
|
B:ASP445
|
2.3
|
18.3
|
1.0
|
OE2
|
B:GLU475
|
2.5
|
31.4
|
1.0
|
OE1
|
B:GLU475
|
2.7
|
29.8
|
1.0
|
CD
|
B:GLU475
|
3.0
|
31.4
|
1.0
|
C
|
B:THR524
|
3.3
|
25.4
|
1.0
|
C
|
B:GLY444
|
3.4
|
19.8
|
1.0
|
CG
|
B:ASP445
|
3.5
|
19.5
|
1.0
|
N
|
B:THR524
|
3.9
|
24.7
|
1.0
|
CA
|
B:ASP445
|
4.1
|
19.9
|
1.0
|
N
|
B:ASP445
|
4.2
|
19.8
|
1.0
|
CA
|
B:THR524
|
4.2
|
25.0
|
1.0
|
N
|
B:SER525
|
4.3
|
25.8
|
1.0
|
CA
|
B:GLY444
|
4.3
|
19.7
|
1.0
|
OD2
|
B:ASP445
|
4.4
|
18.8
|
1.0
|
CB
|
B:ASP445
|
4.4
|
19.8
|
1.0
|
CG
|
B:GLU475
|
4.5
|
31.5
|
1.0
|
CA
|
B:SER525
|
4.5
|
26.2
|
1.0
|
C
|
B:GLY523
|
4.6
|
24.3
|
1.0
|
O
|
B:HOH94
|
4.7
|
20.8
|
1.0
|
CG2
|
B:THR524
|
4.7
|
24.5
|
1.0
|
O
|
B:HOH125
|
4.8
|
30.2
|
1.0
|
CB
|
B:SER525
|
4.8
|
26.1
|
1.0
|
CA
|
B:SER471
|
4.8
|
26.0
|
1.0
|
OG
|
B:SER471
|
4.9
|
25.6
|
1.0
|
|
Calcium binding site 5 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 5 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2002
b:27.3
occ:1.00
|
OD1
|
B:ASN564
|
1.9
|
23.8
|
1.0
|
OE2
|
B:GLU587
|
2.0
|
23.7
|
1.0
|
OD1
|
B:ASP565
|
2.4
|
19.2
|
1.0
|
O
|
B:ASN564
|
2.4
|
21.0
|
1.0
|
CD
|
B:GLU587
|
2.6
|
20.9
|
1.0
|
OE1
|
B:GLU587
|
2.7
|
21.9
|
1.0
|
CG
|
B:ASN564
|
3.0
|
21.9
|
1.0
|
C
|
B:ASN564
|
3.3
|
20.8
|
1.0
|
CG
|
B:ASP565
|
3.6
|
19.7
|
1.0
|
ND2
|
B:ASN564
|
3.9
|
21.9
|
1.0
|
CA
|
B:ASP565
|
4.0
|
20.1
|
1.0
|
CB
|
B:ASN564
|
4.0
|
21.3
|
1.0
|
N
|
B:ASP565
|
4.1
|
20.4
|
1.0
|
CG
|
B:GLU587
|
4.1
|
20.4
|
1.0
|
CA
|
B:ASN564
|
4.2
|
21.1
|
1.0
|
CB
|
B:ASP565
|
4.3
|
19.9
|
1.0
|
OD2
|
B:ASP565
|
4.5
|
18.7
|
1.0
|
CA
|
B:ALA583
|
4.6
|
18.9
|
1.0
|
O
|
B:GLY582
|
4.6
|
18.8
|
1.0
|
N
|
B:SER584
|
4.7
|
18.9
|
1.0
|
CG
|
B:ARG542
|
4.8
|
15.8
|
1.0
|
N
|
B:ALA543
|
4.8
|
15.8
|
1.0
|
NE
|
B:ARG542
|
4.8
|
16.9
|
1.0
|
CE
|
B:MET635
|
4.8
|
55.2
|
1.0
|
O
|
B:ALA543
|
4.8
|
17.0
|
1.0
|
CA
|
B:ARG542
|
4.9
|
14.9
|
1.0
|
OG
|
B:SER584
|
4.9
|
19.2
|
1.0
|
|
Calcium binding site 6 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 6 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2003
b:31.3
occ:1.00
|
O
|
B:ASP669
|
2.3
|
27.8
|
1.0
|
OD2
|
B:ASP670
|
2.4
|
27.2
|
1.0
|
OE1
|
B:GLU692
|
2.6
|
38.9
|
1.0
|
OE2
|
B:GLU692
|
2.6
|
39.2
|
1.0
|
CD
|
B:GLU692
|
2.9
|
38.7
|
1.0
|
C
|
B:ASP669
|
3.3
|
27.5
|
1.0
|
CG
|
B:ASP670
|
3.6
|
26.3
|
1.0
|
CB
|
B:ASP669
|
4.1
|
28.1
|
1.0
|
CA
|
B:ASP670
|
4.1
|
26.1
|
1.0
|
N
|
B:ASP670
|
4.1
|
26.8
|
1.0
|
CA
|
B:ASP669
|
4.3
|
27.9
|
1.0
|
OG
|
B:SER646
|
4.3
|
28.9
|
1.0
|
CB
|
B:ASP670
|
4.4
|
26.1
|
1.0
|
CG
|
B:GLU692
|
4.5
|
38.5
|
1.0
|
OD1
|
B:ASP670
|
4.5
|
25.9
|
1.0
|
ND2
|
B:ASN647
|
4.6
|
31.0
|
1.0
|
CA
|
B:SER688
|
4.7
|
36.1
|
1.0
|
N
|
B:GLN689
|
4.7
|
37.2
|
1.0
|
O
|
B:ASP687
|
4.7
|
34.6
|
1.0
|
CG
|
B:GLN689
|
4.9
|
38.7
|
1.0
|
N
|
B:ASN647
|
5.0
|
30.2
|
1.0
|
|
Calcium binding site 7 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 7 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca3001
b:34.9
occ:1.00
|
OE1
|
C:GLU475
|
2.0
|
39.5
|
1.0
|
O
|
C:GLY444
|
2.1
|
26.6
|
1.0
|
O
|
C:THR524
|
2.5
|
39.3
|
1.0
|
OD1
|
C:ASP445
|
2.5
|
23.2
|
1.0
|
CD
|
C:GLU475
|
2.7
|
38.4
|
1.0
|
OE2
|
C:GLU475
|
2.8
|
39.0
|
1.0
|
C
|
C:GLY444
|
3.2
|
26.4
|
1.0
|
C
|
C:THR524
|
3.7
|
39.5
|
1.0
|
CG
|
C:ASP445
|
3.7
|
24.1
|
1.0
|
CA
|
C:ASP445
|
3.9
|
25.0
|
1.0
|
N
|
C:ASP445
|
4.0
|
25.7
|
1.0
|
N
|
C:THR524
|
4.0
|
37.3
|
1.0
|
CG
|
C:GLU475
|
4.2
|
36.9
|
1.0
|
O
|
C:HOH70
|
4.2
|
30.5
|
1.0
|
CA
|
C:GLY444
|
4.2
|
26.7
|
1.0
|
O
|
C:HOH5048
|
4.3
|
38.5
|
1.0
|
CB
|
C:ASP445
|
4.4
|
24.8
|
1.0
|
CA
|
C:THR524
|
4.5
|
38.5
|
1.0
|
OD2
|
C:ASP445
|
4.7
|
22.3
|
1.0
|
N
|
C:SER525
|
4.7
|
41.0
|
1.0
|
O
|
C:HOH175
|
4.7
|
42.6
|
1.0
|
CB
|
C:SER525
|
4.9
|
42.5
|
1.0
|
CG2
|
C:THR472
|
4.9
|
37.9
|
1.0
|
C
|
C:GLY523
|
4.9
|
36.3
|
1.0
|
CA
|
C:SER525
|
4.9
|
42.5
|
1.0
|
OG1
|
C:THR472
|
4.9
|
38.3
|
1.0
|
N
|
C:THR472
|
4.9
|
37.7
|
1.0
|
CA
|
C:SER471
|
5.0
|
37.1
|
1.0
|
CG2
|
C:THR524
|
5.0
|
38.1
|
1.0
|
|
Calcium binding site 8 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 8 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca3002
b:37.3
occ:1.00
|
O
|
C:ASN564
|
2.1
|
29.6
|
1.0
|
OD1
|
C:ASN564
|
2.2
|
32.0
|
1.0
|
OE2
|
C:GLU587
|
2.2
|
34.5
|
1.0
|
OD1
|
C:ASP565
|
2.3
|
28.4
|
1.0
|
OE1
|
C:GLU587
|
2.6
|
34.8
|
1.0
|
CD
|
C:GLU587
|
2.7
|
34.5
|
1.0
|
C
|
C:ASN564
|
3.2
|
29.4
|
1.0
|
CG
|
C:ASN564
|
3.2
|
30.6
|
1.0
|
CG
|
C:ASP565
|
3.5
|
28.4
|
1.0
|
CA
|
C:ASP565
|
3.8
|
28.5
|
1.0
|
N
|
C:ASP565
|
3.9
|
29.1
|
1.0
|
ND2
|
C:ASN564
|
4.1
|
31.2
|
1.0
|
CB
|
C:ASN564
|
4.1
|
29.9
|
1.0
|
O
|
C:GLY582
|
4.2
|
32.4
|
1.0
|
CA
|
C:ASN564
|
4.2
|
29.7
|
1.0
|
CB
|
C:ASP565
|
4.2
|
28.4
|
1.0
|
CG
|
C:GLU587
|
4.2
|
34.5
|
1.0
|
OD2
|
C:ASP565
|
4.4
|
27.9
|
1.0
|
N
|
C:SER584
|
4.5
|
32.1
|
1.0
|
CA
|
C:ALA583
|
4.6
|
32.0
|
1.0
|
CG
|
C:ARG542
|
4.6
|
24.3
|
1.0
|
O
|
C:ALA543
|
4.7
|
25.6
|
1.0
|
N
|
C:ALA543
|
4.8
|
25.0
|
1.0
|
CA
|
C:ARG542
|
4.9
|
24.5
|
1.0
|
|
Calcium binding site 9 out
of 9 in 2fh3
Go back to
Calcium Binding Sites List in 2fh3
Calcium binding site 9 out
of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca3003
b:38.9
occ:1.00
|
OE2
|
C:GLU692
|
2.2
|
35.4
|
1.0
|
O
|
C:ASP669
|
2.4
|
27.3
|
1.0
|
OD2
|
C:ASP670
|
2.6
|
27.1
|
1.0
|
OE1
|
C:GLU692
|
2.7
|
35.3
|
1.0
|
CD
|
C:GLU692
|
2.8
|
35.0
|
1.0
|
C
|
C:ASP669
|
3.4
|
27.1
|
1.0
|
CG
|
C:ASP670
|
3.7
|
26.4
|
1.0
|
OG
|
C:SER646
|
3.8
|
31.8
|
1.0
|
CA
|
C:ASP670
|
3.9
|
25.8
|
1.0
|
N
|
C:ASP670
|
4.1
|
26.4
|
1.0
|
CB
|
C:ASP669
|
4.2
|
27.7
|
1.0
|
CG
|
C:GLU692
|
4.3
|
33.8
|
1.0
|
CB
|
C:ASP670
|
4.4
|
26.0
|
1.0
|
CA
|
C:ASP669
|
4.4
|
27.5
|
1.0
|
ND2
|
C:ASN647
|
4.6
|
35.4
|
1.0
|
OD1
|
C:ASP670
|
4.6
|
26.9
|
1.0
|
NE2
|
C:GLN689
|
4.6
|
40.0
|
1.0
|
CB
|
C:SER646
|
4.7
|
32.1
|
1.0
|
CA
|
C:SER688
|
4.7
|
35.1
|
1.0
|
CA
|
C:SER646
|
4.8
|
32.2
|
1.0
|
O
|
C:ASP687
|
4.8
|
34.1
|
1.0
|
N
|
C:ASN647
|
4.9
|
33.4
|
1.0
|
N
|
C:GLN689
|
4.9
|
35.8
|
1.0
|
CG
|
C:GLN689
|
5.0
|
37.6
|
1.0
|
|
Reference:
S.Chumnarnsilpa,
A.Loonchanta,
B.Xue,
H.Choe,
D.Urosev,
H.Wang,
U.Lindberg,
L.D.Burtnick,
R.C.Robinson.
Calcium Ion Exchange in Crystalline Gelsolin J.Mol.Biol. V. 357 773 2006.
ISSN: ISSN 0022-2836
PubMed: 16466744
DOI: 10.1016/J.JMB.2006.01.026
Page generated: Fri Jul 12 10:26:35 2024
|