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Calcium in PDB 1rtp: Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution

Protein crystallography data

The structure of Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution, PDB code: 1rtp was solved by C.A.Mcphalen, A.R.Sielecki, B.D.Santarsiero, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 34.300, 55.000, 156.100, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution (pdb code 1rtp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution, PDB code: 1rtp:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1rtp

Go back to Calcium Binding Sites List in 1rtp
Calcium binding site 1 out of 6 in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Ca110

b:4.2
occ:1.00
 OD1 1:ASP51 2.1 6.4 1.0
O 1:PHE57 2.3 4.2 1.0
OD1 1:ASP53 2.3 6.8 1.0
OE1 1:GLU59 2.4 2.8 1.0
OE1 1:GLU62 2.5 2.6 1.0
OE2 1:GLU62 2.6 7.1 1.0
OG 1:SER55 2.7 6.3 1.0
CD 1:GLU62 2.9 2.0 1.0
CG 1:ASP51 3.3 7.8 1.0
CD 1:GLU59 3.3 2.0 1.0
CG 1:ASP53 3.4 8.5 1.0
C 1:PHE57 3.5 3.5 1.0
OE2 1:GLU59 3.6 5.7 1.0
CB 1:SER55 3.7 4.5 1.0
OD2 1:ASP53 3.9 6.4 1.0
N 1:SER55 4.0 6.2 1.0
CB 1:ASP51 4.1 7.8 1.0
CA 1:ASP51 4.1 6.0 1.0
N 1:ASP53 4.2 6.3 1.0
OD2 1:ASP51 4.2 6.6 1.0
C 1:ASP51 4.3 6.8 1.0
N 1:PHE57 4.3 4.7 1.0
CG 1:GLU62 4.3 2.0 1.0
N 1:GLU59 4.4 3.2 1.0
CA 1:ILE58 4.4 4.0 1.0
N 1:ILE58 4.4 4.0 1.0
CA 1:SER55 4.4 2.8 1.0
CA 1:PHE57 4.5 4.9 1.0
N 1:LYS54 4.5 5.1 1.0
O 1:HOH115 4.5 2.3 0.7
N 1:LYS52 4.5 10.1 1.0
CB 1:ASP53 4.5 5.8 1.0
O 1:HOH140 4.5 10.8 1.0
CA 1:ASP53 4.6 6.6 1.0
CG 1:GLU59 4.6 2.6 1.0
C 1:ASP53 4.7 7.3 1.0
N 1:GLY56 4.7 3.2 1.0
O 1:ASP51 4.8 9.2 1.0
C 1:ILE58 4.9 4.3 1.0
C 1:SER55 4.9 6.0 1.0

Calcium binding site 2 out of 6 in 1rtp

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Calcium binding site 2 out of 6 in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Ca111

b:6.3
occ:1.00
 O 1:LYS96 2.2 5.2 1.0
OE1 1:GLU101 2.3 6.7 1.0
OD1 1:ASP90 2.3 9.3 1.0
O 1:HOH121 2.3 6.1 1.0
OD1 1:ASP94 2.3 9.9 1.0
OD1 1:ASP92 2.3 11.4 1.0
OE2 1:GLU101 2.5 6.4 1.0
CD 1:GLU101 2.8 4.4 1.0
CG 1:ASP94 3.3 8.1 1.0
C 1:LYS96 3.3 5.7 1.0
CG 1:ASP92 3.4 8.7 1.0
CG 1:ASP90 3.4 8.6 1.0
OD2 1:ASP94 3.7 11.9 1.0
OD2 1:ASP92 3.8 12.4 1.0
CA 1:ASP90 4.1 8.5 1.0
N 1:LYS96 4.1 6.4 1.0
CB 1:ASP90 4.2 8.1 1.0
O 1:HOH125 4.2 7.7 1.0
N 1:ILE97 4.2 3.9 1.0
OD2 1:ASP90 4.2 11.2 1.0
CG 1:GLU101 4.3 5.2 1.0
N 1:ASP94 4.3 12.4 1.0
CA 1:ILE97 4.3 5.4 1.0
CA 1:LYS96 4.3 6.4 1.0
N 1:ASP92 4.3 13.3 1.0
N 1:GLY98 4.4 5.1 1.0
N 1:LYS91 4.5 12.1 1.0
N 1:GLY93 4.6 14.8 1.0
CB 1:ASP94 4.6 11.3 1.0
CB 1:ASP92 4.6 9.5 1.0
C 1:ASP90 4.6 11.1 1.0
CA 1:ASP92 4.8 12.2 1.0
CB 1:LYS96 4.8 7.3 1.0
C 1:ILE97 4.8 4.5 1.0
C 1:ASP92 4.9 16.1 1.0
CA 1:ASP94 4.9 10.8 1.0
N 1:GLY95 4.9 10.4 1.0

Calcium binding site 3 out of 6 in 1rtp

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Calcium binding site 3 out of 6 in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Ca110

b:7.5
occ:1.00
 O 2:PHE57 2.2 5.9 1.0
OD1 2:ASP53 2.2 11.8 1.0
OD1 2:ASP51 2.3 7.7 1.0
OE1 2:GLU59 2.3 12.1 1.0
OG 2:SER55 2.4 7.2 1.0
OE1 2:GLU62 2.4 11.0 1.0
OE2 2:GLU62 2.5 12.3 1.0
CD 2:GLU62 2.8 10.5 1.0
CG 2:ASP53 3.3 9.0 1.0
CD 2:GLU59 3.3 14.9 1.0
CG 2:ASP51 3.4 7.1 1.0
C 2:PHE57 3.4 5.0 1.0
CB 2:SER55 3.5 9.2 1.0
OE2 2:GLU59 3.5 8.0 1.0
OD2 2:ASP53 3.8 17.8 1.0
N 2:SER55 3.9 11.3 1.0
OD2 2:ASP51 4.1 13.3 1.0
N 2:ASP53 4.2 10.2 1.0
CA 2:ASP51 4.2 8.9 1.0
CA 2:SER55 4.2 8.9 1.0
CB 2:ASP51 4.3 9.5 1.0
CG 2:GLU62 4.3 10.9 1.0
CA 2:ILE58 4.3 4.1 1.0
N 2:GLU59 4.3 6.0 1.0
N 2:PHE57 4.3 9.4 1.0
N 2:ILE58 4.3 4.9 1.0
C 2:ASP51 4.4 7.6 1.0
CB 2:ASP53 4.4 14.1 1.0
N 2:LYS54 4.4 11.6 1.0
CA 2:PHE57 4.4 8.0 1.0
N 2:LYS52 4.5 8.9 1.0
CA 2:ASP53 4.6 11.2 1.0
O 2:HOH206 4.6 15.8 0.7
CG 2:GLU59 4.7 10.1 1.0
C 2:ASP53 4.7 12.9 1.0
N 2:GLY56 4.7 9.2 1.0
C 2:ILE58 4.8 4.4 1.0
C 2:SER55 4.9 11.4 1.0
C 2:LYS54 5.0 11.6 1.0
O 2:ASP51 5.0 9.6 1.0
CB 2:PHE57 5.0 11.6 1.0

Calcium binding site 4 out of 6 in 1rtp

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Calcium binding site 4 out of 6 in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Ca111

b:11.1
occ:1.00
 O 2:HOH148 2.2 13.9 1.0
O 2:LYS96 2.3 7.1 1.0
OD1 2:ASP90 2.3 11.2 1.0
OD1 2:ASP92 2.4 15.1 1.0
OD1 2:ASP94 2.4 16.2 1.0
OE1 2:GLU101 2.5 10.6 1.0
OE2 2:GLU101 2.6 14.5 1.0
CD 2:GLU101 2.9 12.6 1.0
CG 2:ASP94 3.2 17.0 1.0
CG 2:ASP92 3.3 18.7 1.0
CG 2:ASP90 3.4 13.0 1.0
C 2:LYS96 3.5 8.0 1.0
OD2 2:ASP94 3.5 15.3 1.0
OD2 2:ASP92 3.8 22.8 1.0
CA 2:ASP90 4.1 12.6 1.0
N 2:LYS96 4.1 12.1 1.0
N 2:ASP94 4.2 15.8 1.0
CB 2:ASP90 4.2 5.4 1.0
N 2:ASP92 4.2 15.3 1.0
OD2 2:ASP90 4.3 12.5 1.0
N 2:ILE97 4.4 7.6 1.0
CA 2:LYS96 4.4 9.2 1.0
CG 2:GLU101 4.4 7.2 1.0
CB 2:ASP94 4.4 12.5 1.0
C 2:ASP90 4.4 14.2 1.0
CB 2:ASP92 4.4 17.9 1.0
CA 2:ILE97 4.5 8.6 1.0
N 2:GLY93 4.5 17.4 1.0
N 2:LYS91 4.5 15.5 1.0
CA 2:ASP92 4.6 16.4 1.0
N 2:GLY98 4.6 6.8 1.0
CA 2:ASP94 4.7 13.9 1.0
C 2:ASP92 4.7 16.4 1.0
CG 2:LYS96 4.8 9.8 1.0
N 2:GLY95 4.8 13.9 1.0
C 2:ASP94 4.9 16.0 1.0
C 2:ILE97 5.0 7.6 1.0

Calcium binding site 5 out of 6 in 1rtp

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Calcium binding site 5 out of 6 in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Ca110

b:9.9
occ:1.00
 OD1 3:ASP53 2.3 15.1 1.0
O 3:PHE57 2.3 7.5 1.0
OD1 3:ASP51 2.3 14.2 1.0
OE1 3:GLU59 2.4 11.0 1.0
OG 3:SER55 2.5 11.4 1.0
OE1 3:GLU62 2.5 7.7 1.0
OE2 3:GLU62 2.6 12.6 1.0
CD 3:GLU62 2.9 9.6 1.0
CD 3:GLU59 3.3 11.7 1.0
CG 3:ASP53 3.4 12.8 1.0
CB 3:SER55 3.4 9.1 1.0
CG 3:ASP51 3.4 11.0 1.0
C 3:PHE57 3.6 7.1 1.0
OE2 3:GLU59 3.6 14.7 1.0
N 3:SER55 3.9 17.5 1.0
OD2 3:ASP53 4.0 17.9 1.0
N 3:ASP53 4.2 16.9 1.0
OD2 3:ASP51 4.2 11.5 1.0
CA 3:ASP51 4.2 10.8 1.0
CA 3:SER55 4.2 16.6 1.0
N 3:PHE57 4.3 8.3 1.0
CG 3:GLU62 4.3 9.8 1.0
CB 3:ASP51 4.3 8.5 1.0
C 3:ASP51 4.4 10.6 1.0
N 3:GLU59 4.4 8.2 1.0
N 3:ILE58 4.5 9.2 1.0
CA 3:ILE58 4.5 7.5 1.0
N 3:LYS54 4.5 16.8 1.0
CA 3:PHE57 4.5 8.6 1.0
N 3:LYS52 4.6 15.3 1.0
CB 3:ASP53 4.6 15.3 1.0
N 3:GLY56 4.6 12.6 1.0
CG 3:GLU59 4.7 10.4 1.0
O 3:HOH200 4.7 28.5 1.0
CA 3:ASP53 4.7 16.4 1.0
C 3:SER55 4.8 14.0 1.0
C 3:ASP53 4.8 18.4 1.0
O 3:ASP51 4.8 11.8 1.0
C 3:LYS54 5.0 20.8 1.0

Calcium binding site 6 out of 6 in 1rtp

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Calcium binding site 6 out of 6 in the Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Refined X-Ray Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Ca111

b:11.4
occ:1.00
 OD1 3:ASP94 2.1 11.7 1.0
O 3:HOH145 2.2 12.6 1.0
OD1 3:ASP90 2.2 13.9 1.0
OE1 3:GLU101 2.3 9.1 1.0
OD1 3:ASP92 2.4 25.3 1.0
O 3:LYS96 2.5 9.4 1.0
OE2 3:GLU101 2.7 10.6 1.0
CD 3:GLU101 2.8 10.6 1.0
CG 3:ASP94 3.1 12.6 1.0
CG 3:ASP90 3.3 16.1 1.0
CG 3:ASP92 3.3 23.9 1.0
C 3:LYS96 3.5 11.5 1.0
OD2 3:ASP94 3.6 10.2 1.0
OD2 3:ASP92 3.8 24.4 1.0
CB 3:ASP90 4.1 16.5 1.0
CA 3:ASP90 4.1 19.1 1.0
O 3:HOH169 4.1 18.5 1.0
N 3:ASP94 4.1 17.1 1.0
OD2 3:ASP90 4.2 13.9 1.0
CG 3:GLU101 4.3 7.6 1.0
CA 3:ILE97 4.3 7.5 1.0
N 3:ILE97 4.3 10.9 1.0
N 3:LYS96 4.4 13.7 1.0
CB 3:ASP94 4.4 14.3 1.0
N 3:ASP92 4.4 21.3 1.0
CA 3:LYS96 4.5 11.0 1.0
CB 3:ASP92 4.6 24.8 1.0
C 3:ASP90 4.6 19.5 1.0
N 3:LYS91 4.6 21.4 1.0
N 3:GLY98 4.6 9.8 1.0
CA 3:ASP94 4.7 14.3 1.0
N 3:GLY93 4.7 20.3 1.0
C 3:ASP92 4.8 22.5 1.0
CA 3:ASP92 4.8 21.8 1.0
N 3:GLY95 4.9 16.2 1.0
CB 3:LYS96 4.9 14.7 1.0
C 3:ILE97 5.0 8.7 1.0

Reference:

C.A.Mcphalen, A.R.Sielecki, B.D.Santarsiero, M.N.James. Refined Crystal Structure of Rat Parvalbumin, A Mammalian Alpha-Lineage Parvalbumin, at 2.0 A Resolution. J.Mol.Biol. V. 235 718 1994.
ISSN: ISSN 0022-2836
PubMed: 8289291
DOI: 10.1006/JMBI.1994.1023
Page generated: Thu Jul 11 22:18:03 2024

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