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Calcium in PDB 2fh1: C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 4.5

Protein crystallography data

The structure of C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 4.5, PDB code: 2fh1 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) 19.69 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.822, 90.320, 156.299, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 21.4

Calcium Binding Sites:

The binding sites of Calcium atom in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 4.5 (pdb code 2fh1). 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 4.5, PDB code: 2fh1:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 2fh1

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Calcium binding site 1 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca2001

b:19.3
occ:1.00
 O A:GLY444 2.3 17.3 1.0
OD1 A:ASP445 2.3 19.3 1.0
O A:HOH2079 2.3 21.8 1.0
O A:THR524 2.4 21.3 1.0
O A:HOH2020 2.4 21.1 1.0
OE1 A:GLU475 2.4 21.2 1.0
OE2 A:GLU475 2.7 17.6 1.0
CD A:GLU475 2.9 17.1 1.0
C A:GLY444 3.3 17.3 1.0
C A:THR524 3.5 22.4 1.0
CG A:ASP445 3.5 17.1 1.0
N A:THR524 3.8 21.6 1.0
CA A:ASP445 3.9 16.5 1.0
N A:ASP445 4.0 15.6 1.0
O A:HOH2009 4.2 17.8 1.0
O A:HOH2085 4.3 25.9 1.0
CB A:ASP445 4.3 16.4 1.0
CA A:GLY444 4.3 17.2 1.0
CA A:THR524 4.3 22.0 1.0
CG A:GLU475 4.3 19.3 1.0
O A:HOH2163 4.4 36.5 1.0
OD2 A:ASP445 4.4 18.5 1.0
O A:HOH2205 4.5 31.8 1.0
N A:SER525 4.6 24.3 1.0
O A:HOH2245 4.6 30.6 1.0
C A:GLY523 4.7 22.2 1.0
O A:HOH2078 4.7 23.5 1.0
CG2 A:THR524 4.7 20.9 1.0
CA A:SER525 4.8 26.1 1.0
CA A:GLY523 4.8 20.2 1.0
CA A:SER471 4.9 19.5 1.0
OG A:SER471 4.9 18.4 1.0
OG1 A:THR472 4.9 26.0 1.0
CB A:SER525 5.0 27.3 1.0

Calcium binding site 2 out of 9 in 2fh1

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Calcium binding site 2 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca2002

b:17.8
occ:1.00
 O A:ASN564 2.3 17.2 1.0
O A:HOH2044 2.3 21.4 1.0
O A:HOH2059 2.4 21.2 1.0
OD1 A:ASP565 2.4 16.3 1.0
OE2 A:GLU587 2.4 16.8 1.0
OD1 A:ASN564 2.4 19.9 1.0
OE1 A:GLU587 2.6 17.3 1.0
CD A:GLU587 2.9 17.1 1.0
C A:ASN564 3.3 16.3 1.0
CG A:ASN564 3.3 18.9 1.0
CG A:ASP565 3.6 17.9 1.0
CA A:ASP565 3.9 16.6 1.0
N A:ASP565 4.0 16.4 1.0
CB A:ASN564 4.0 17.9 1.0
CA A:ASN564 4.2 17.3 1.0
ND2 A:ASN564 4.2 21.4 1.0
CB A:ASP565 4.3 16.4 1.0
CG A:GLU587 4.4 17.6 1.0
O A:HOH2155 4.4 27.6 1.0
O A:GLY582 4.4 21.6 1.0
OD2 A:ASP565 4.5 17.4 1.0
CG A:ARG542 4.6 15.6 1.0
CA A:ALA583 4.6 20.1 1.0
NE A:ARG542 4.8 19.4 1.0
O A:ALA543 4.9 19.9 1.0
N A:SER584 4.9 20.7 1.0
CA A:ARG542 4.9 14.7 1.0
N A:ALA543 4.9 15.5 1.0

Calcium binding site 3 out of 9 in 2fh1

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Calcium binding site 3 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca2003

b:17.1
occ:1.00
 OD2 A:ASP670 2.3 16.0 1.0
O A:ASP669 2.3 16.9 1.0
O A:HOH2036 2.4 21.0 1.0
OE2 A:GLU692 2.5 15.7 1.0
OE1 A:GLU692 2.5 16.0 1.0
CD A:GLU692 2.9 15.2 1.0
C A:ASP669 3.4 17.2 1.0
CG A:ASP670 3.5 16.0 1.0
OG A:SER646 3.9 17.9 1.0
CA A:ASP670 4.0 15.1 1.0
N A:ASP670 4.1 15.5 1.0
CB A:ASP670 4.3 16.1 1.0
CG A:GLU692 4.4 17.4 1.0
CB A:ASP669 4.4 20.0 1.0
OD1 A:ASP670 4.4 19.2 1.0
CA A:SER688 4.4 17.0 1.0
O A:HOH2136 4.5 30.5 1.0
CA A:ASP669 4.5 18.2 1.0
ND2 A:ASN647 4.5 20.1 1.0
N A:GLN689 4.6 17.0 1.0
CG A:ASP669 4.6 22.1 1.0
O A:ASP687 4.7 18.5 1.0
CB A:SER688 4.8 17.3 1.0
CB A:SER646 4.9 18.1 1.0
CG A:GLN689 4.9 16.8 1.0
N A:ASN647 4.9 18.4 1.0
OD2 A:ASP669 4.9 26.9 1.0
CB A:LYS648 4.9 24.6 1.0

Calcium binding site 4 out of 9 in 2fh1

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Calcium binding site 4 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca3001

b:18.7
occ:1.00
 O B:GLY444 2.3 16.5 1.0
O B:THR524 2.3 18.8 1.0
O B:HOH3063 2.4 21.0 1.0
OD1 B:ASP445 2.4 19.6 1.0
OE1 B:GLU475 2.4 19.6 1.0
O B:HOH3064 2.4 21.0 1.0
OE2 B:GLU475 2.6 18.9 1.0
CD B:GLU475 2.9 18.4 1.0
C B:GLY444 3.3 17.6 1.0
C B:THR524 3.5 19.1 1.0
CG B:ASP445 3.6 18.0 1.0
CA B:ASP445 3.9 16.6 1.0
N B:THR524 3.9 19.6 1.0
N B:ASP445 4.0 17.3 1.0
O B:HOH3021 4.2 19.5 1.0
CA B:GLY444 4.2 16.6 1.0
O B:HOH3046 4.3 25.2 1.0
CB B:ASP445 4.3 17.2 1.0
CA B:THR524 4.3 19.3 1.0
CG B:GLU475 4.3 19.0 1.0
OD2 B:ASP445 4.5 17.3 1.0
N B:SER525 4.5 19.5 1.0
O B:HOH3243 4.5 30.9 1.0
O B:HOH3105 4.6 32.5 1.0
O B:HOH3191 4.6 29.3 1.0
CA B:SER525 4.6 20.4 1.0
O B:HOH3058 4.7 24.2 1.0
CG2 B:THR524 4.7 19.2 1.0
CB B:SER525 4.8 20.5 1.0
C B:GLY523 4.8 20.5 1.0
CA B:SER471 4.9 19.2 1.0
OG B:SER471 4.9 18.7 1.0

Calcium binding site 5 out of 9 in 2fh1

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Calcium binding site 5 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca3002

b:17.7
occ:1.00
 OD1 B:ASP565 2.3 15.4 1.0
O B:HOH3062 2.3 19.8 1.0
O B:ASN564 2.3 15.7 1.0
OE2 B:GLU587 2.4 16.8 1.0
OD1 B:ASN564 2.4 20.5 1.0
O B:HOH3068 2.4 22.5 1.0
OE1 B:GLU587 2.6 15.7 1.0
CD B:GLU587 2.8 16.1 1.0
C B:ASN564 3.3 16.2 1.0
CG B:ASN564 3.3 19.0 1.0
CG B:ASP565 3.5 15.3 1.0
CA B:ASP565 3.9 13.9 1.0
N B:ASP565 4.0 15.4 1.0
CB B:ASN564 4.0 17.5 1.0
ND2 B:ASN564 4.2 20.9 1.0
CA B:ASN564 4.3 16.6 1.0
CB B:ASP565 4.3 13.7 1.0
CG B:GLU587 4.3 15.5 1.0
CE B:MET635 4.3 51.0 1.0
O B:HOH3210 4.3 29.6 1.0
OD2 B:ASP565 4.4 17.0 1.0
O B:GLY582 4.5 18.8 1.0
CG B:ARG542 4.6 16.7 1.0
CA B:ALA583 4.7 18.4 1.0
N B:SER584 4.7 17.8 1.0
O B:HOH3229 4.8 37.1 1.0
O B:HOH3209 4.8 43.7 1.0
NE B:ARG542 4.8 17.8 1.0
O B:ALA543 4.8 20.1 1.0
CA B:ARG542 4.9 15.0 1.0
N B:ALA543 4.9 16.1 1.0

Calcium binding site 6 out of 9 in 2fh1

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Calcium binding site 6 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca3003

b:22.0
occ:1.00
 O B:ASP669 2.3 22.0 1.0
O B:HOH3034 2.3 25.5 1.0
O B:HOH3081 2.3 27.4 1.0
OE2 B:GLU692 2.4 22.9 1.0
OD2 B:ASP670 2.4 22.1 1.0
O B:HOH3146 2.4 28.9 1.0
OE1 B:GLU692 2.6 22.7 1.0
CD B:GLU692 2.8 22.0 1.0
C B:ASP669 3.4 21.7 1.0
CG B:ASP670 3.6 21.1 1.0
CA B:ASP670 4.0 20.4 1.0
OG B:SER646 4.0 23.0 1.0
N B:ASP670 4.2 21.0 1.0
CB B:ASP669 4.2 23.6 1.0
CG B:GLU692 4.3 22.6 1.0
CB B:ASP670 4.4 20.8 1.0
CA B:ASP669 4.4 23.1 1.0
ND2 B:ASN647 4.4 22.2 1.0
OD1 B:ASP670 4.4 22.4 1.0
CA B:SER688 4.5 25.4 1.0
O B:HOH3143 4.5 35.6 1.0
O B:HOH3283 4.6 40.9 1.0
O B:HOH3325 4.6 36.8 1.0
N B:GLN689 4.6 27.4 1.0
O B:ASP687 4.7 27.3 1.0
CG B:GLN689 4.8 29.0 1.0
N B:ASN647 4.8 21.9 1.0
CB B:SER688 5.0 25.2 1.0
CB B:SER646 5.0 20.6 1.0

Calcium binding site 7 out of 9 in 2fh1

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Calcium binding site 7 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca4001

b:25.3
occ:1.00
 OD1 C:ASP445 2.3 27.1 1.0
O C:HOH4133 2.4 29.7 1.0
OE1 C:GLU475 2.4 30.9 1.0
O C:HOH4023 2.4 32.1 1.0
O C:GLY444 2.4 26.3 1.0
O C:THR524 2.5 29.8 1.0
OE2 C:GLU475 2.7 30.4 1.0
CD C:GLU475 2.9 27.9 1.0
C C:GLY444 3.4 24.6 1.0
CG C:ASP445 3.5 22.4 1.0
C C:THR524 3.6 30.6 1.0
N C:THR524 3.8 29.2 1.0
CA C:ASP445 3.9 23.7 1.0
N C:ASP445 4.1 24.7 1.0
O C:HOH4020 4.2 26.3 1.0
O C:HOH4159 4.2 36.1 1.0
CB C:ASP445 4.3 23.7 1.0
CA C:THR524 4.3 29.7 1.0
CG C:GLU475 4.4 30.5 1.0
OD2 C:ASP445 4.4 25.4 1.0
CA C:GLY444 4.4 25.0 1.0
C C:GLY523 4.6 29.7 1.0
N C:SER525 4.7 31.3 1.0
CA C:GLY523 4.7 28.8 1.0
O C:HOH4132 4.7 34.3 1.0
CG2 C:THR524 4.7 29.1 1.0
CA C:SER525 4.9 33.2 1.0
CB C:SER525 4.9 34.1 1.0
OG1 C:THR472 5.0 38.2 1.0
O C:HOH4250 5.0 43.5 1.0

Calcium binding site 8 out of 9 in 2fh1

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Calcium binding site 8 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium 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 Low Calcium at pH 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca4002

b:21.5
occ:1.00
 OE2 C:GLU587 2.3 21.5 1.0
OD1 C:ASP565 2.3 21.0 1.0
O C:ASN564 2.4 22.2 1.0
O C:HOH4018 2.4 23.3 1.0
OD1 C:ASN564 2.4 24.9 1.0
O C:HOH4008 2.4 26.3 1.0
OE1 C:GLU587 2.7 22.7 1.0
CD C:GLU587 2.8 20.6 1.0
CG C:ASN564 3.2 24.5 1.0
C C:ASN564 3.3 21.6 1.0
CG C:ASP565 3.5 21.0 1.0
CA C:ASP565 3.9 20.4 1.0
N C:ASP565 4.0 21.8 1.0
CB C:ASN564 4.0 22.9 1.0
ND2 C:ASN564 4.1 26.5 1.0
CA C:ASN564 4.3 22.8 1.0
CB C:ASP565 4.3 20.7 1.0
CG C:GLU587 4.3 22.2 1.0
O C:GLY582 4.4 25.0 1.0
OD2 C:ASP565 4.4 21.4 1.0
O C:HOH4198 4.6 38.7 1.0
CA C:ALA583 4.6 25.5 1.0
CG C:ARG542 4.7 22.6 1.0
N C:SER584 4.8 25.3 1.0
O C:ALA543 4.8 26.7 1.0
N C:ALA543 4.9 23.3 1.0
CA C:ARG542 4.9 21.6 1.0
NE C:ARG542 4.9 24.1 1.0
O C:HOH4164 5.0 37.8 1.0

Calcium binding site 9 out of 9 in 2fh1

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Calcium binding site 9 out of 9 in the C-Terminal Half of Gelsolin Soaked in Low Calcium at pH 4.5


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 4.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca4003

b:25.9
occ:1.00
 O C:HOH4293 2.3 35.2 1.0
O C:ASP669 2.3 24.4 1.0
OD2 C:ASP670 2.5 29.6 1.0
O C:HOH4061 2.5 29.3 1.0
OE2 C:GLU692 2.5 25.4 1.0
O C:HOH4045 2.6 32.9 1.0
OE1 C:GLU692 2.6 24.9 1.0
CD C:GLU692 2.9 25.1 1.0
C C:ASP669 3.4 23.8 1.0
CG C:ASP670 3.7 22.8 1.0
CA C:ASP670 4.1 22.3 1.0
OG C:SER646 4.1 26.8 1.0
N C:ASP670 4.2 22.5 1.0
CB C:ASP669 4.3 25.6 1.0
CA C:ASP669 4.4 24.9 1.0
CG C:GLU692 4.4 26.8 1.0
CA C:SER688 4.4 26.1 1.0
OD1 C:ASP670 4.5 26.7 1.0
CB C:ASP670 4.5 23.4 1.0
O C:HOH4263 4.6 43.6 1.0
ND2 C:ASN647 4.6 26.0 1.0
N C:GLN689 4.6 28.0 1.0
O C:ASP687 4.6 26.6 1.0
CG C:GLN689 4.7 33.4 1.0
NE2 C:GLN689 4.8 40.0 1.0
CB C:SER688 4.9 25.4 1.0
CB C:SER646 4.9 24.0 1.0
N C:ASN647 5.0 25.3 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 10:26:27 2024

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