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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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