Calcium in PDB 1ooj: Structural Genomics of Caenorhabditis Elegans : Calmodulin
Protein crystallography data
The structure of Structural Genomics of Caenorhabditis Elegans : Calmodulin, PDB code: 1ooj
was solved by
J.Symersky,
G.Lin,
S.Li,
S.Qiu,
C.-H.Luan,
D.Luo,
J.Tsao,
M.Carson,
L.Delucas,
M.Luo,
Southeast Collaboratory For Structuralgenomics (Secsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.11
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
103.394,
23.997,
60.770,
90.00,
112.14,
90.00
|
R / Rfree (%)
|
21.2 /
27.1
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Structural Genomics of Caenorhabditis Elegans : Calmodulin
(pdb code 1ooj). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Structural Genomics of Caenorhabditis Elegans : Calmodulin, PDB code: 1ooj:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 1ooj
Go back to
Calcium Binding Sites List in 1ooj
Calcium binding site 1 out
of 4 in the Structural Genomics of Caenorhabditis Elegans : Calmodulin
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structural Genomics of Caenorhabditis Elegans : Calmodulin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1001
b:30.4
occ:1.00
|
OD1
|
A:ASP25
|
2.4
|
30.5
|
1.0
|
OD1
|
A:ASP21
|
2.5
|
21.1
|
1.0
|
OE2
|
A:GLU32
|
2.5
|
23.2
|
1.0
|
O
|
A:THR27
|
2.6
|
20.7
|
1.0
|
OE1
|
A:GLU32
|
2.7
|
21.8
|
1.0
|
CD
|
A:GLU32
|
3.0
|
26.1
|
1.0
|
OD2
|
A:ASP23
|
3.0
|
36.0
|
1.0
|
CG
|
A:ASP25
|
3.5
|
31.5
|
1.0
|
CG
|
A:ASP23
|
3.5
|
38.8
|
1.0
|
OD1
|
A:ASP23
|
3.5
|
42.2
|
1.0
|
CG
|
A:ASP21
|
3.5
|
25.6
|
1.0
|
C
|
A:THR27
|
3.7
|
23.6
|
1.0
|
OG1
|
A:THR27
|
4.0
|
18.2
|
1.0
|
N
|
A:ASP25
|
4.2
|
32.3
|
1.0
|
OD2
|
A:ASP21
|
4.2
|
26.2
|
1.0
|
OD2
|
A:ASP25
|
4.2
|
31.3
|
1.0
|
N
|
A:THR27
|
4.2
|
23.5
|
1.0
|
N
|
A:ASP23
|
4.3
|
35.7
|
1.0
|
CA
|
A:ASP21
|
4.3
|
27.9
|
1.0
|
CB
|
A:ASP25
|
4.4
|
31.2
|
1.0
|
CG
|
A:GLU32
|
4.4
|
25.9
|
1.0
|
CB
|
A:ASP21
|
4.5
|
23.6
|
1.0
|
C
|
A:ASP21
|
4.5
|
30.9
|
1.0
|
CA
|
A:THR27
|
4.5
|
22.5
|
1.0
|
N
|
A:GLY24
|
4.6
|
34.5
|
1.0
|
N
|
A:LYS22
|
4.6
|
33.0
|
1.0
|
N
|
A:ILE28
|
4.7
|
22.6
|
1.0
|
CA
|
A:ILE28
|
4.7
|
21.3
|
1.0
|
N
|
A:GLY26
|
4.7
|
27.5
|
1.0
|
CB
|
A:ASP23
|
4.8
|
38.3
|
1.0
|
CA
|
A:ASP25
|
4.8
|
30.2
|
1.0
|
CA
|
A:ASP23
|
4.9
|
36.5
|
1.0
|
C
|
A:ASP23
|
4.9
|
36.5
|
1.0
|
CB
|
A:THR27
|
4.9
|
22.5
|
1.0
|
|
Calcium binding site 2 out
of 4 in 1ooj
Go back to
Calcium Binding Sites List in 1ooj
Calcium binding site 2 out
of 4 in the Structural Genomics of Caenorhabditis Elegans : Calmodulin
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structural Genomics of Caenorhabditis Elegans : Calmodulin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1002
b:36.0
occ:1.00
|
O
|
A:THR63
|
2.6
|
28.6
|
1.0
|
OD1
|
A:ASN61
|
2.6
|
29.6
|
1.0
|
OD1
|
A:ASP57
|
2.7
|
23.4
|
1.0
|
OE1
|
A:GLU68
|
2.7
|
30.2
|
1.0
|
O
|
A:HOH2018
|
2.8
|
34.8
|
1.0
|
OD1
|
A:ASP59
|
2.8
|
35.0
|
1.0
|
OE2
|
A:GLU68
|
2.9
|
29.3
|
1.0
|
O
|
A:HOH2001
|
3.0
|
31.8
|
1.0
|
CD
|
A:GLU68
|
3.1
|
29.0
|
1.0
|
CG
|
A:ASN61
|
3.2
|
29.4
|
1.0
|
ND2
|
A:ASN61
|
3.2
|
29.3
|
1.0
|
CG
|
A:ASP57
|
3.6
|
28.2
|
1.0
|
C
|
A:THR63
|
3.6
|
27.2
|
1.0
|
CG
|
A:ASP59
|
3.7
|
36.4
|
1.0
|
OD2
|
A:ASP59
|
3.9
|
37.4
|
1.0
|
OD2
|
A:ASP57
|
4.3
|
27.5
|
1.0
|
N
|
A:ASP65
|
4.3
|
28.1
|
1.0
|
OG1
|
A:THR63
|
4.4
|
25.7
|
1.0
|
CA
|
A:ILE64
|
4.4
|
27.4
|
1.0
|
N
|
A:THR63
|
4.4
|
26.9
|
1.0
|
N
|
A:ASN61
|
4.4
|
29.9
|
1.0
|
N
|
A:ILE64
|
4.4
|
27.1
|
1.0
|
O
|
A:HOH2066
|
4.4
|
35.0
|
1.0
|
CB
|
A:ASP57
|
4.4
|
27.3
|
1.0
|
CG
|
A:GLU68
|
4.5
|
27.9
|
1.0
|
CB
|
A:ASN61
|
4.5
|
28.3
|
1.0
|
OD2
|
A:ASP65
|
4.5
|
31.5
|
1.0
|
CA
|
A:ASP57
|
4.6
|
29.0
|
1.0
|
CA
|
A:THR63
|
4.6
|
26.3
|
1.0
|
N
|
A:ASP59
|
4.7
|
35.7
|
1.0
|
N
|
A:ALA58
|
4.8
|
32.1
|
1.0
|
C
|
A:ILE64
|
4.8
|
26.6
|
1.0
|
CG
|
A:ASP65
|
4.8
|
29.6
|
1.0
|
C
|
A:ASP57
|
4.9
|
30.4
|
1.0
|
CA
|
A:ASN61
|
4.9
|
29.9
|
1.0
|
N
|
A:GLY60
|
4.9
|
35.3
|
1.0
|
|
Calcium binding site 3 out
of 4 in 1ooj
Go back to
Calcium Binding Sites List in 1ooj
Calcium binding site 3 out
of 4 in the Structural Genomics of Caenorhabditis Elegans : Calmodulin
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structural Genomics of Caenorhabditis Elegans : Calmodulin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1003
b:37.0
occ:1.00
|
O
|
A:PHE100
|
2.4
|
28.1
|
1.0
|
OD1
|
A:ASN98
|
2.5
|
35.4
|
1.0
|
OE2
|
A:GLU105
|
2.6
|
38.2
|
1.0
|
OD2
|
A:ASP94
|
2.7
|
28.9
|
1.0
|
OE1
|
A:GLU105
|
2.7
|
36.0
|
1.0
|
OD1
|
A:ASP96
|
2.8
|
39.6
|
1.0
|
O
|
A:HOH2071
|
2.9
|
39.4
|
1.0
|
CD
|
A:GLU105
|
3.0
|
37.3
|
1.0
|
OD2
|
A:ASP96
|
3.2
|
39.2
|
1.0
|
CG
|
A:ASP96
|
3.3
|
38.2
|
1.0
|
CG
|
A:ASN98
|
3.4
|
34.4
|
1.0
|
C
|
A:PHE100
|
3.6
|
26.6
|
1.0
|
ND2
|
A:ASN98
|
3.8
|
33.3
|
1.0
|
CG
|
A:ASP94
|
3.9
|
28.6
|
1.0
|
N
|
A:ASN98
|
4.1
|
31.8
|
1.0
|
N
|
A:PHE100
|
4.2
|
24.9
|
1.0
|
CG
|
A:GLU105
|
4.4
|
36.7
|
1.0
|
CA
|
A:PHE100
|
4.4
|
26.3
|
1.0
|
NE2
|
A:GLN136
|
4.4
|
34.8
|
1.0
|
N
|
A:ASP96
|
4.4
|
33.6
|
1.0
|
CB
|
A:ASN98
|
4.5
|
33.4
|
1.0
|
CB
|
A:ASP96
|
4.6
|
36.8
|
1.0
|
OD1
|
A:ASP94
|
4.6
|
26.9
|
1.0
|
N
|
A:ILE101
|
4.6
|
26.1
|
1.0
|
N
|
A:GLY97
|
4.6
|
35.5
|
1.0
|
CA
|
A:ASP94
|
4.6
|
27.3
|
1.0
|
CB
|
A:PHE100
|
4.6
|
25.6
|
1.0
|
CA
|
A:ILE101
|
4.6
|
24.6
|
1.0
|
N
|
A:SER102
|
4.6
|
26.6
|
1.0
|
C
|
A:ASP94
|
4.6
|
28.8
|
1.0
|
CA
|
A:ASN98
|
4.8
|
31.4
|
1.0
|
C
|
A:ASP96
|
4.8
|
35.5
|
1.0
|
CA
|
A:ASP96
|
4.8
|
35.9
|
1.0
|
CB
|
A:ASP94
|
4.8
|
26.5
|
1.0
|
N
|
A:GLY99
|
4.9
|
28.6
|
1.0
|
N
|
A:LYS95
|
4.9
|
30.5
|
1.0
|
OG
|
A:SER102
|
4.9
|
27.9
|
1.0
|
O
|
A:ASP94
|
4.9
|
27.6
|
1.0
|
|
Calcium binding site 4 out
of 4 in 1ooj
Go back to
Calcium Binding Sites List in 1ooj
Calcium binding site 4 out
of 4 in the Structural Genomics of Caenorhabditis Elegans : Calmodulin
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structural Genomics of Caenorhabditis Elegans : Calmodulin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1004
b:32.1
occ:1.00
|
O
|
A:GLN136
|
2.5
|
24.0
|
1.0
|
OD1
|
A:ASP130
|
2.6
|
29.0
|
1.0
|
OD2
|
A:ASP132
|
2.6
|
32.3
|
1.0
|
OD2
|
A:ASP134
|
2.6
|
32.5
|
1.0
|
OE2
|
A:GLU141
|
2.6
|
25.9
|
1.0
|
OE1
|
A:GLU141
|
2.7
|
24.8
|
1.0
|
O
|
A:HOH2075
|
2.8
|
31.1
|
1.0
|
CD
|
A:GLU141
|
3.0
|
28.0
|
1.0
|
CG
|
A:ASP132
|
3.2
|
30.6
|
1.0
|
CG
|
A:ASP134
|
3.3
|
35.2
|
1.0
|
OD1
|
A:ASP132
|
3.4
|
31.1
|
1.0
|
CG
|
A:ASP130
|
3.6
|
29.5
|
1.0
|
C
|
A:GLN136
|
3.7
|
27.7
|
1.0
|
OD1
|
A:ASP134
|
3.8
|
35.3
|
1.0
|
N
|
A:ASP134
|
3.9
|
34.6
|
1.0
|
CA
|
A:ASP130
|
4.3
|
28.0
|
1.0
|
CB
|
A:ASP134
|
4.3
|
35.6
|
1.0
|
N
|
A:GLN136
|
4.3
|
29.4
|
1.0
|
N
|
A:ASP132
|
4.4
|
30.9
|
1.0
|
CB
|
A:ASP132
|
4.4
|
32.3
|
1.0
|
CB
|
A:ASP130
|
4.4
|
28.9
|
1.0
|
N
|
A:GLY133
|
4.4
|
34.4
|
1.0
|
N
|
A:ASN138
|
4.4
|
25.0
|
1.0
|
OD2
|
A:ASP130
|
4.5
|
32.0
|
1.0
|
CG
|
A:GLU141
|
4.5
|
24.3
|
1.0
|
C
|
A:ASP130
|
4.5
|
28.1
|
1.0
|
CA
|
A:VAL137
|
4.5
|
26.0
|
1.0
|
CA
|
A:ASP134
|
4.5
|
33.8
|
1.0
|
N
|
A:VAL137
|
4.6
|
27.0
|
1.0
|
N
|
A:GLY135
|
4.6
|
33.4
|
1.0
|
C
|
A:ASP132
|
4.6
|
33.1
|
1.0
|
CA
|
A:ASP132
|
4.7
|
31.4
|
1.0
|
CA
|
A:GLN136
|
4.7
|
29.1
|
1.0
|
N
|
A:ILE131
|
4.8
|
28.6
|
1.0
|
CG
|
A:ASN138
|
4.9
|
26.1
|
1.0
|
C
|
A:ASP134
|
4.9
|
33.5
|
1.0
|
O
|
A:ASP130
|
4.9
|
24.9
|
1.0
|
C
|
A:GLY133
|
4.9
|
34.9
|
1.0
|
C
|
A:VAL137
|
4.9
|
24.8
|
1.0
|
OD1
|
A:ASN138
|
4.9
|
27.8
|
1.0
|
|
Reference:
J.Symersky,
G.Lin,
S.Li,
S.Qiu,
M.Carson,
N.Schormann,
M.Luo.
Structural Genomics of Caenorhabditis Elegans: Crystal Structure of Calmodulin. Proteins V. 53 947 2003.
ISSN: ISSN 0887-3585
PubMed: 14635136
DOI: 10.1002/PROT.10517
Page generated: Thu Jul 11 13:25:59 2024
|