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Calcium in PDB 1rwy: Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution

Protein crystallography data

The structure of Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution, PDB code: 1rwy was solved by C.A.Bottoms, J.P.Schuermann, S.Agah, M.T.Henzl, J.J.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.10 / 1.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 33.838, 54.708, 153.643, 90.00, 90.00, 90.00
R / Rfree (%) 13.3 / 16.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution (pdb code 1rwy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution, PDB code: 1rwy:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1rwy

Go back to Calcium Binding Sites List in 1rwy
Calcium binding site 1 out of 6 in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution


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 Rat Alpha-Parvalbumin at 1.05 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca421

b:7.1
occ:1.00
 OD1 A:ASP51 2.3 7.9 1.0
OD1 A:ASP53 2.3 8.3 1.0
O A:PHE57 2.3 7.2 1.0
OE1 A:GLU59 2.4 8.6 1.0
OE1 A:GLU62 2.4 8.0 1.0
OE2 A:GLU62 2.5 8.2 1.0
OG A:SER55 2.6 7.8 1.0
CD A:GLU62 2.8 7.2 1.0
CD A:GLU59 3.3 8.3 1.0
CG A:ASP53 3.3 7.8 1.0
CG A:ASP51 3.4 8.6 1.0
OE2 A:GLU59 3.5 8.9 1.0
C A:PHE57 3.6 7.2 1.0
CB A:SER55 3.6 8.9 1.0
OD2 A:ASP53 3.9 9.3 1.0
N A:SER55 3.9 9.2 1.0
CA A:ASP51 4.2 7.7 1.0
N A:ASP53 4.2 8.4 1.0
CB A:ASP51 4.3 8.1 1.0
N A:PHE57 4.3 7.3 1.0
C A:ASP51 4.3 7.7 1.0
CG A:GLU62 4.3 7.6 1.0
OD2 A:ASP51 4.3 9.5 1.0
CA A:SER55 4.4 8.6 1.0
N A:GLU59 4.4 7.1 1.0
N A:ILE58 4.4 6.8 1.0
CA A:ILE58 4.5 6.6 1.0
N A:LYS54 4.5 8.2 1.0
N A:LYS52 4.5 8.4 1.0
O A:HOH479 4.5 10.6 1.0
CA A:PHE57 4.5 7.2 1.0
CB A:ASP53 4.5 9.0 1.0
CA A:ASP53 4.6 8.5 1.0
CG A:GLU59 4.6 8.5 1.0
C A:ASP53 4.6 8.3 1.0
O A:ASP51 4.8 8.8 1.0
N A:GLY56 4.8 8.5 1.0
C A:SER55 4.9 8.9 1.0
C A:ILE58 5.0 6.8 1.0

Calcium binding site 2 out of 6 in 1rwy

Go back to Calcium Binding Sites List in 1rwy
Calcium binding site 2 out of 6 in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution


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 Rat Alpha-Parvalbumin at 1.05 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca422

b:11.9
occ:1.00
 OD1 A:ASP90 2.3 12.5 1.0
OD1 A:ASP92 2.3 19.1 1.0
OD1 A:ASP94 2.3 12.3 1.0
O A:LYS96 2.4 10.3 1.0
OE1 A:GLU101 2.4 12.5 1.0
O A:HOH535 2.5 13.2 1.0
OE2 A:GLU101 2.5 13.1 1.0
CD A:GLU101 2.8 11.3 1.0
CG A:ASP94 3.3 12.4 1.0
CG A:ASP92 3.3 21.9 1.0
CG A:ASP90 3.4 12.7 1.0
C A:LYS96 3.5 9.4 1.0
OD2 A:ASP94 3.6 13.2 1.0
OD2 A:ASP92 3.7 23.1 1.0
CA A:ASP90 4.0 12.0 1.0
CB A:ASP90 4.2 12.6 1.0
N A:LYS96 4.2 11.6 1.0
OD2 A:ASP90 4.3 17.1 1.0
N A:ASP94 4.3 14.9 1.0
CG A:GLU101 4.4 10.1 1.0
N A:ASP92 4.4 16.2 1.0
N A:ILE97 4.4 9.1 1.0
CA A:LYS96 4.4 10.2 1.0
CA A:ILE97 4.4 8.8 1.0
CB A:ASP94 4.4 12.7 1.0
C A:ASP90 4.5 14.3 1.0
N A:GLY98 4.5 9.3 1.0
O A:HOH557 4.5 19.7 1.0
CB A:ASP92 4.5 22.9 1.0
N A:GLY93 4.5 19.4 1.0
O A:HOH513 4.6 18.1 1.0
O B:HOH549 4.7 13.8 1.0
N A:LYS91 4.7 16.1 1.0
CB A:LYS96 4.7 13.2 1.0
CA A:ASP94 4.8 13.1 1.0
CA A:ASP92 4.8 22.0 1.0
C A:ASP92 4.8 21.6 1.0
C A:ILE97 4.9 8.9 1.0
N A:GLY95 4.9 13.5 1.0

Calcium binding site 3 out of 6 in 1rwy

Go back to Calcium Binding Sites List in 1rwy
Calcium binding site 3 out of 6 in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution


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 Rat Alpha-Parvalbumin at 1.05 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca423

b:6.7
occ:1.00
 OD1 B:ASP51 2.3 7.3 1.0
OD1 B:ASP53 2.3 9.7 1.0
O B:PHE57 2.3 6.5 1.0
OE1 B:GLU59 2.3 8.6 1.0
OE1 B:GLU62 2.4 7.9 1.0
OE2 B:GLU62 2.5 8.4 1.0
OG B:SER55 2.5 8.3 1.0
CD B:GLU62 2.8 7.1 1.0
CD B:GLU59 3.3 7.3 1.0
CG B:ASP53 3.4 11.1 1.0
CG B:ASP51 3.4 7.0 1.0
OE2 B:GLU59 3.5 8.6 1.0
CB B:SER55 3.6 9.3 1.0
C B:PHE57 3.6 5.5 1.0
OD2 B:ASP53 3.9 14.3 1.0
N B:SER55 3.9 9.2 1.0
N B:ASP53 4.1 9.9 1.0
OD2 B:ASP51 4.2 9.0 1.0
CA B:ASP51 4.2 6.8 1.0
CG B:GLU62 4.3 7.2 1.0
C B:ASP51 4.3 7.4 1.0
N B:GLU59 4.3 6.4 1.0
N B:PHE57 4.3 6.5 1.0
CA B:SER55 4.3 9.7 1.0
N B:LYS52 4.3 7.7 1.0
CB B:ASP51 4.3 7.2 1.0
O B:HOH479 4.4 17.6 1.0
N B:LYS54 4.4 10.1 1.0
CA B:ILE58 4.4 5.4 1.0
N B:ILE58 4.4 5.4 1.0
CB B:ASP53 4.5 12.8 1.0
CA B:PHE57 4.5 6.5 1.0
O B:HOH559 4.6 34.5 1.0
CG B:GLU59 4.6 8.0 1.0
CA B:ASP53 4.6 11.5 1.0
C B:ASP53 4.7 10.8 1.0
N B:GLY56 4.8 9.1 1.0
O B:HOH522 4.9 20.4 1.0
O B:ASP51 4.9 8.4 1.0
C B:ILE58 4.9 5.6 1.0
C B:SER55 4.9 9.3 1.0
CB B:GLU59 5.0 7.8 1.0

Calcium binding site 4 out of 6 in 1rwy

Go back to Calcium Binding Sites List in 1rwy
Calcium binding site 4 out of 6 in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca424

b:7.0
occ:1.00
 OD1 B:ASP90 2.3 7.4 1.0
O B:LYS96 2.3 7.7 1.0
OD1 B:ASP94 2.4 7.8 1.0
O B:HOH523 2.4 10.5 1.0
OD1 B:ASP92 2.4 8.6 1.0
OE1 B:GLU101 2.5 7.0 1.0
OE2 B:GLU101 2.5 9.0 1.0
CD B:GLU101 2.8 6.8 1.0
CG B:ASP94 3.2 9.0 1.0
CG B:ASP92 3.4 9.3 1.0
CG B:ASP90 3.4 7.3 1.0
C B:LYS96 3.5 6.1 1.0
OD2 B:ASP94 3.7 10.4 1.0
OD2 B:ASP92 3.9 12.1 1.0
N B:ASP94 4.1 9.0 1.0
CA B:ASP90 4.1 7.7 1.0
CB B:ASP90 4.2 8.1 1.0
N B:ASP92 4.2 7.7 1.0
N B:LYS96 4.2 7.0 1.0
OD2 B:ASP90 4.3 8.6 1.0
CB B:ASP94 4.3 10.4 1.0
CG B:GLU101 4.3 7.9 1.0
C B:ASP90 4.4 7.8 1.0
CA B:ILE97 4.4 6.1 1.0
N B:ILE97 4.4 6.3 1.0
N B:GLY98 4.5 6.0 1.0
CB B:ASP92 4.5 9.3 1.0
N B:GLY93 4.5 9.4 1.0
CA B:LYS96 4.5 6.5 1.0
N B:LYS91 4.5 8.5 1.0
CA B:ASP94 4.6 9.8 1.0
CA B:ASP92 4.7 8.9 1.0
N B:GLY95 4.7 7.7 1.0
CG B:LYS96 4.8 8.5 1.0
C B:ASP92 4.8 9.4 1.0
C B:ILE97 4.9 6.0 1.0
C B:ASP94 4.9 9.2 1.0
O B:ASP90 5.0 8.9 1.0

Calcium binding site 5 out of 6 in 1rwy

Go back to Calcium Binding Sites List in 1rwy
Calcium binding site 5 out of 6 in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca425

b:6.1
occ:1.00
 OD1 C:ASP51 2.3 6.6 1.0
OD1 C:ASP53 2.3 8.1 1.0
O C:PHE57 2.3 6.9 1.0
OE1 C:GLU59 2.4 6.8 1.0
OE1 C:GLU62 2.4 7.0 1.0
OG C:SER55 2.5 7.3 1.0
OE2 C:GLU62 2.5 7.8 1.0
CD C:GLU62 2.8 6.0 1.0
CD C:GLU59 3.2 6.3 1.0
CG C:ASP53 3.4 8.8 1.0
CG C:ASP51 3.4 6.7 1.0
OE2 C:GLU59 3.5 7.8 1.0
CB C:SER55 3.6 8.0 1.0
C C:PHE57 3.6 5.9 1.0
OD2 C:ASP53 3.8 13.6 1.0
N C:SER55 4.0 8.0 1.0
CA C:ASP51 4.1 6.4 1.0
N C:ASP53 4.2 8.0 1.0
OD2 C:ASP51 4.2 9.0 1.0
CB C:ASP51 4.2 7.1 1.0
C C:ASP51 4.2 6.6 1.0
O C:HOH490 4.3 13.6 1.0
CG C:GLU62 4.3 7.3 1.0
CA C:SER55 4.3 8.6 1.0
N C:GLU59 4.3 5.9 1.0
N C:PHE57 4.3 6.7 1.0
N C:LYS52 4.4 7.0 1.0
CA C:ILE58 4.4 5.8 1.0
N C:ILE58 4.4 6.2 1.0
CB C:ASP53 4.5 9.1 1.0
N C:LYS54 4.5 8.6 1.0
CA C:PHE57 4.5 6.5 1.0
O C:HOH518 4.6 18.5 1.0
CG C:GLU59 4.6 6.7 1.0
CA C:ASP53 4.7 8.3 1.0
C C:ASP53 4.8 8.8 1.0
O C:ASP51 4.8 7.2 1.0
N C:GLY56 4.9 8.2 1.0
C C:ILE58 4.9 5.6 1.0
C C:SER55 4.9 8.4 1.0

Calcium binding site 6 out of 6 in 1rwy

Go back to Calcium Binding Sites List in 1rwy
Calcium binding site 6 out of 6 in the Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca426

b:7.2
occ:1.00
 OD1 C:ASP90 2.3 8.7 1.0
OD1 C:ASP94 2.3 8.5 1.0
OD1 C:ASP92 2.3 9.3 1.0
O C:LYS96 2.4 7.5 1.0
O C:HOH534 2.4 9.2 1.0
OE1 C:GLU101 2.4 7.6 1.0
OE2 C:GLU101 2.5 7.5 1.0
CD C:GLU101 2.8 6.9 1.0
CG C:ASP94 3.3 8.7 1.0
CG C:ASP90 3.4 8.7 1.0
CG C:ASP92 3.4 10.1 1.0
C C:LYS96 3.5 7.2 1.0
OD2 C:ASP94 3.6 9.4 1.0
OD2 C:ASP92 4.0 13.2 1.0
O C:HOH466 4.0 9.7 1.0
CA C:ASP90 4.1 8.6 1.0
CB C:ASP90 4.1 8.8 1.0
N C:ASP92 4.2 10.5 1.0
OD2 C:ASP90 4.3 10.1 1.0
N C:LYS96 4.3 7.4 1.0
CA C:ILE97 4.3 6.7 1.0
N C:ILE97 4.3 6.5 1.0
CG C:GLU101 4.3 7.1 1.0
N C:ASP94 4.4 10.8 1.0
N C:LYS91 4.4 9.1 1.0
CA C:LYS96 4.5 7.0 1.0
CB C:ASP94 4.5 11.5 1.0
N C:GLY98 4.5 6.4 1.0
CB C:ASP92 4.5 10.1 1.0
C C:ASP90 4.6 8.5 1.0
N C:GLY93 4.6 12.1 1.0
CA C:ASP92 4.7 10.6 1.0
CG C:LYS96 4.8 7.9 1.0
C C:ASP92 4.8 12.0 1.0
CA C:ASP94 4.9 10.8 1.0
C C:ILE97 4.9 6.1 1.0
N C:GLY95 4.9 9.3 1.0

Reference:

C.A.Bottoms, J.P.Schuermann, S.Agah, M.T.Henzl, J.J.Tanner. Crystal Structure of Rat Alpha-Parvalbumin at 1.05 Resolution Protein Sci. V. 13 1724 2004.
ISSN: ISSN 0961-8368
PubMed: 15169955
DOI: 10.1110/PS.03571004
Page generated: Sat Dec 12 03:18:09 2020

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