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Calcium in PDB 2fh2: C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5

Protein crystallography data

The structure of C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5, PDB code: 2fh2 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) 19.92 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.286, 90.929, 157.618, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.5

Calcium Binding Sites:

The binding sites of Calcium atom in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5 (pdb code 2fh2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5, PDB code: 2fh2:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 2fh2

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Calcium binding site 1 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1001

b:27.2
occ:1.00
 O A:HOH5003 2.3 31.1 1.0
OE1 A:GLU475 2.3 29.8 1.0
OD1 A:ASP445 2.4 27.7 1.0
O A:THR524 2.4 38.6 1.0
O A:GLY444 2.4 28.2 1.0
O A:HOH5004 2.5 36.4 1.0
OE2 A:GLU475 2.7 32.2 1.0
CD A:GLU475 2.8 32.2 1.0
C A:GLY444 3.3 27.8 1.0
C A:THR524 3.6 39.2 1.0
CG A:ASP445 3.6 28.4 1.0
CA A:ASP445 3.9 28.1 1.0
N A:THR524 3.9 37.5 1.0
N A:ASP445 3.9 28.0 1.0
CA A:GLY444 4.2 27.7 1.0
CG A:GLU475 4.3 33.5 1.0
O A:HOH44 4.3 34.6 1.0
CB A:ASP445 4.3 28.3 1.0
CA A:THR524 4.4 37.9 1.0
OD2 A:ASP445 4.5 27.3 1.0
N A:SER525 4.6 41.1 1.0
C A:GLY523 4.8 36.8 1.0
O A:HOH202 4.8 38.5 1.0
OG A:SER471 4.9 32.8 1.0
CA A:SER525 4.9 42.4 1.0
CG2 A:THR524 4.9 36.6 1.0
CA A:SER471 4.9 34.0 1.0
CA A:GLY523 4.9 35.9 1.0
OG1 A:THR472 5.0 35.8 1.0

Calcium binding site 2 out of 8 in 2fh2

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Calcium binding site 2 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1002

b:26.8
occ:1.00
 O A:ASN564 2.2 27.4 1.0
O A:HOH5021 2.3 27.7 1.0
OD1 A:ASP565 2.3 27.7 1.0
O A:HOH5020 2.3 28.8 1.0
OD1 A:ASN564 2.4 31.4 1.0
OE2 A:GLU587 2.4 31.9 1.0
OE1 A:GLU587 2.7 32.4 1.0
CD A:GLU587 2.9 33.1 1.0
C A:ASN564 3.2 28.2 1.0
CG A:ASN564 3.2 29.4 1.0
CG A:ASP565 3.5 27.7 1.0
CA A:ASP565 3.9 27.4 1.0
N A:ASP565 3.9 27.9 1.0
CB A:ASN564 4.0 28.8 1.0
ND2 A:ASN564 4.1 26.9 1.0
CA A:ASN564 4.2 28.5 1.0
CB A:ASP565 4.3 27.3 1.0
OD2 A:ASP565 4.4 28.0 1.0
CG A:GLU587 4.4 32.8 1.0
O A:HOH162 4.5 40.0 1.0
O A:GLY582 4.6 37.1 1.0
CA A:ALA583 4.7 36.3 1.0
CG A:ARG542 4.7 30.2 1.0
O A:HOH87 4.7 55.5 1.0
NE A:ARG542 4.7 32.6 1.0
O A:ALA543 4.8 32.6 1.0
N A:SER584 4.9 36.4 1.0

Calcium binding site 3 out of 8 in 2fh2

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Calcium binding site 3 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1003

b:26.9
occ:1.00
 O A:ASP669 2.3 31.1 1.0
O A:HOH5034 2.3 36.3 1.0
O A:HOH5035 2.4 35.2 1.0
OE2 A:GLU692 2.4 27.4 1.0
OD2 A:ASP670 2.4 29.9 1.0
OE1 A:GLU692 2.5 28.4 1.0
CD A:GLU692 2.8 31.0 1.0
C A:ASP669 3.4 31.9 1.0
CG A:ASP670 3.6 31.4 1.0
CA A:ASP670 4.0 31.7 1.0
N A:ASP670 4.1 31.5 1.0
CG A:GLU692 4.3 34.4 1.0
OG A:SER646 4.3 35.6 1.0
CB A:ASP670 4.3 32.0 1.0
OD1 A:ASP670 4.4 30.7 1.0
ND2 A:ASN647 4.5 34.7 1.0
CA A:SER688 4.5 31.7 1.0
CB A:ASP669 4.5 33.1 1.0
CA A:ASP669 4.5 32.6 1.0
N A:GLN689 4.7 33.0 1.0
O A:ASP687 4.7 32.2 1.0
CG A:ASP669 4.7 36.3 1.0
CB A:LYS648 4.8 42.5 1.0
OD1 A:ASP669 4.8 42.4 1.0
CG A:GLN689 4.9 32.6 1.0
CB A:SER688 4.9 31.3 1.0
N A:ASN647 5.0 37.3 1.0

Calcium binding site 4 out of 8 in 2fh2

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Calcium binding site 4 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2001

b:27.5
occ:1.00
 O B:THR524 2.2 34.0 1.0
O B:HOH5046 2.2 29.4 1.0
OD1 B:ASP445 2.3 28.6 1.0
O B:GLY444 2.4 28.1 1.0
OE1 B:GLU475 2.5 33.9 1.0
OE2 B:GLU475 2.6 37.8 1.0
CD B:GLU475 2.9 37.6 1.0
C B:GLY444 3.4 28.4 1.0
C B:THR524 3.5 34.8 1.0
CG B:ASP445 3.5 30.5 1.0
N B:THR524 3.9 34.5 1.0
CA B:ASP445 4.1 29.4 1.0
N B:ASP445 4.2 28.6 1.0
O B:HOH14 4.2 27.8 1.0
CA B:THR524 4.3 34.4 1.0
CA B:GLY444 4.3 28.3 1.0
CG B:GLU475 4.4 38.5 1.0
OD2 B:ASP445 4.4 30.2 1.0
CB B:ASP445 4.4 29.5 1.0
N B:SER525 4.4 35.6 1.0
CA B:SER525 4.6 35.9 1.0
C B:GLY523 4.7 34.3 1.0
O B:HOH5044 4.7 35.8 1.0
CB B:SER525 4.7 35.6 1.0
CG2 B:THR524 4.8 33.4 1.0
CA B:GLY523 4.9 34.1 1.0
CA B:SER471 4.9 34.8 1.0
OG B:SER471 5.0 34.9 1.0

Calcium binding site 5 out of 8 in 2fh2

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Calcium binding site 5 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2002

b:25.3
occ:1.00
 O B:HOH5059 2.2 24.3 1.0
OD1 B:ASN564 2.3 28.8 1.0
OD1 B:ASP565 2.3 29.5 1.0
O B:HOH5060 2.3 25.7 1.0
O B:ASN564 2.4 28.9 1.0
OE2 B:GLU587 2.4 30.6 1.0
OE1 B:GLU587 2.7 30.0 1.0
CD B:GLU587 2.9 31.3 1.0
CG B:ASN564 3.2 29.3 1.0
C B:ASN564 3.3 28.9 1.0
CG B:ASP565 3.5 28.7 1.0
CA B:ASP565 3.9 28.4 1.0
CB B:ASN564 4.0 28.9 1.0
N B:ASP565 4.0 28.4 1.0
ND2 B:ASN564 4.1 30.2 1.0
CA B:ASN564 4.2 28.5 1.0
CB B:ASP565 4.3 28.4 1.0
OD2 B:ASP565 4.4 28.8 1.0
CG B:GLU587 4.4 30.9 1.0
O B:GLY582 4.6 29.3 1.0
CG B:ARG542 4.6 27.4 1.0
NE B:ARG542 4.7 29.9 1.0
CA B:ALA583 4.7 30.7 1.0
CE B:MET635 4.8 77.7 1.0
N B:SER584 4.8 31.5 1.0
N B:ALA543 4.8 27.7 1.0
O B:ALA543 4.9 30.0 1.0
CA B:ARG542 4.9 26.5 1.0

Calcium binding site 6 out of 8 in 2fh2

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Calcium binding site 6 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2003

b:35.0
occ:1.00
 O B:ASP669 2.2 40.1 1.0
OE1 B:GLU692 2.4 41.2 1.0
OE2 B:GLU692 2.5 41.4 1.0
O B:HOH5072 2.5 37.1 1.0
CD B:GLU692 2.8 42.9 1.0
OD2 B:ASP670 2.9 39.5 1.0
C B:ASP669 3.4 40.3 1.0
CG B:ASP670 4.0 40.1 1.0
CB B:ASP669 4.1 41.2 1.0
OG B:SER646 4.1 40.9 1.0
CA B:ASP670 4.2 38.6 1.0
N B:ASP670 4.2 39.2 1.0
CA B:ASP669 4.3 40.6 1.0
CG B:GLU692 4.3 42.9 1.0
ND2 B:ASN647 4.4 42.1 1.0
CA B:SER688 4.7 45.8 1.0
CB B:ASP670 4.7 39.0 1.0
N B:GLN689 4.8 46.7 1.0
O B:ASP687 4.8 44.8 1.0
N B:ASN647 4.9 42.6 1.0
OD1 B:ASP670 4.9 41.9 1.0
CG B:GLN689 4.9 49.5 1.0

Calcium binding site 7 out of 8 in 2fh2

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Calcium binding site 7 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca3001

b:31.8
occ:1.00
 O C:HOH5085 2.3 40.9 1.0
OE1 C:GLU475 2.4 45.8 1.0
OD1 C:ASP445 2.4 33.1 1.0
O C:GLY444 2.4 36.0 1.0
OE2 C:GLU475 2.5 43.4 1.0
O C:THR524 2.5 51.1 1.0
CD C:GLU475 2.8 46.3 1.0
C C:GLY444 3.4 35.4 1.0
CG C:ASP445 3.6 34.7 1.0
C C:THR524 3.7 51.5 1.0
N C:THR524 3.8 50.0 1.0
CA C:ASP445 3.9 34.2 1.0
N C:ASP445 4.1 35.0 1.0
O C:HOH50 4.1 42.6 1.0
CA C:GLY444 4.3 35.4 1.0
CG C:GLU475 4.3 47.7 1.0
CA C:THR524 4.4 50.8 1.0
CB C:ASP445 4.4 34.2 1.0
OD2 C:ASP445 4.5 37.3 1.0
C C:GLY523 4.7 49.0 1.0
N C:SER525 4.8 52.7 1.0
CG2 C:THR524 4.8 50.7 1.0
CA C:GLY523 4.8 48.2 1.0
OG1 C:THR472 4.9 51.5 1.0
CA C:SER471 4.9 49.5 1.0
OG C:SER471 5.0 47.9 1.0

Calcium binding site 8 out of 8 in 2fh2

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Calcium binding site 8 out of 8 in the C-Terminal Half of Gelsolin Soaked in Egta at pH 4.5


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 Egta at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca3002

b:30.5
occ:1.00
 O C:ASN564 2.2 38.1 1.0
O C:HOH5098 2.3 28.9 1.0
OD1 C:ASN564 2.3 40.1 1.0
OE2 C:GLU587 2.4 38.7 1.0
OD1 C:ASP565 2.4 35.4 1.0
O C:HOH5100 2.4 29.8 1.0
OE1 C:GLU587 2.7 38.9 1.0
CD C:GLU587 2.9 40.0 1.0
CG C:ASN564 3.1 39.6 1.0
C C:ASN564 3.2 38.8 1.0
CG C:ASP565 3.6 37.5 1.0
ND2 C:ASN564 3.8 41.9 1.0
CB C:ASN564 3.9 39.1 1.0
N C:ASP565 4.0 38.7 1.0
CA C:ASP565 4.0 38.3 1.0
CA C:ASN564 4.1 39.0 1.0
CB C:ASP565 4.4 38.2 1.0
CG C:GLU587 4.4 41.4 1.0
O C:GLY582 4.4 42.7 1.0
OD2 C:ASP565 4.5 36.1 1.0
O C:ALA543 4.7 40.3 1.0
NE C:ARG542 4.7 39.9 1.0
CA C:ALA583 4.7 42.3 1.0
N C:SER584 4.8 42.5 1.0
CG C:ARG542 4.8 37.8 1.0
CA C:ARG542 4.9 38.0 1.0
N C:ALA543 5.0 39.0 1.0
CB C:ARG542 5.0 38.0 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 10:26:29 2024

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