Calcium in PDB 3tez: Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A Resolution
Protein crystallography data
The structure of Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A Resolution, PDB code: 3tez
was solved by
G.K.Feld,
B.A.Krantz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.90 /
1.83
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.293,
93.686,
117.851,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.3 /
22.6
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A Resolution
(pdb code 3tez). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the
Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A Resolution, PDB code: 3tez:
Jump to Calcium binding site number:
1;
2;
Calcium binding site 1 out
of 2 in 3tez
Go back to
Calcium Binding Sites List in 3tez
Calcium binding site 1 out
of 2 in the Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A 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 Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca800
b:27.0
occ:1.00
|
O
|
A:ILE183
|
2.3
|
26.4
|
1.0
|
OE2
|
A:GLU188
|
2.4
|
27.1
|
1.0
|
OD1
|
A:ASP179
|
2.4
|
25.1
|
1.0
|
O
|
A:HOH802
|
2.4
|
24.8
|
1.0
|
OD1
|
A:ASP177
|
2.4
|
25.1
|
1.0
|
OD1
|
A:ASP181
|
2.5
|
24.8
|
1.0
|
CG
|
A:ASP181
|
3.3
|
25.6
|
1.0
|
CG
|
A:ASP179
|
3.3
|
25.9
|
1.0
|
C
|
A:ILE183
|
3.4
|
30.7
|
1.0
|
CD
|
A:GLU188
|
3.5
|
24.1
|
1.0
|
OD2
|
A:ASP179
|
3.6
|
26.1
|
1.0
|
OD2
|
A:ASP181
|
3.6
|
22.8
|
1.0
|
CG
|
A:ASP177
|
3.6
|
30.8
|
1.0
|
N
|
A:ILE183
|
3.8
|
24.3
|
1.0
|
CA
|
A:ILE183
|
4.0
|
24.7
|
1.0
|
N
|
A:ASP181
|
4.1
|
23.7
|
1.0
|
CB
|
A:ILE183
|
4.2
|
21.9
|
1.0
|
CA
|
A:CA801
|
4.2
|
24.8
|
1.0
|
CG
|
A:GLU188
|
4.3
|
22.3
|
1.0
|
O
|
A:PRO223
|
4.3
|
25.6
|
1.0
|
CA
|
A:ASP177
|
4.3
|
25.8
|
1.0
|
N
|
A:GLY182
|
4.4
|
26.2
|
1.0
|
OE1
|
A:GLU188
|
4.4
|
25.1
|
1.0
|
OD2
|
A:ASP177
|
4.4
|
30.0
|
1.0
|
CB
|
A:ASP181
|
4.5
|
25.2
|
1.0
|
N
|
A:PRO184
|
4.5
|
25.7
|
1.0
|
N
|
A:ASP179
|
4.5
|
29.1
|
1.0
|
CB
|
A:ASP177
|
4.6
|
28.6
|
1.0
|
C
|
A:ASP177
|
4.6
|
23.8
|
1.0
|
OD1
|
A:ASP185
|
4.6
|
32.0
|
1.0
|
CA
|
A:PRO223
|
4.6
|
28.1
|
1.0
|
C
|
A:PRO184
|
4.6
|
27.4
|
1.0
|
CA
|
A:ASP181
|
4.7
|
27.5
|
1.0
|
N
|
A:ASP185
|
4.7
|
28.1
|
1.0
|
CB
|
A:ASP179
|
4.7
|
26.5
|
1.0
|
N
|
A:ASN180
|
4.7
|
26.5
|
1.0
|
C
|
A:GLY182
|
4.8
|
29.4
|
1.0
|
N
|
A:ARG178
|
4.8
|
28.6
|
1.0
|
C
|
A:PRO223
|
4.8
|
27.8
|
1.0
|
CA
|
A:PRO184
|
4.9
|
28.9
|
1.0
|
C
|
A:ASP181
|
4.9
|
24.0
|
1.0
|
O
|
A:PRO184
|
4.9
|
29.0
|
1.0
|
CA
|
A:ASP179
|
5.0
|
27.8
|
1.0
|
|
Calcium binding site 2 out
of 2 in 3tez
Go back to
Calcium Binding Sites List in 3tez
Calcium binding site 2 out
of 2 in the Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A 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 Anthrax Protective Antigen Mutant S337C N664C and Dithiolacetone Modified to 1.8-A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca801
b:24.8
occ:1.00
|
O
|
A:SER222
|
2.4
|
22.7
|
1.0
|
OE1
|
A:GLU188
|
2.4
|
25.1
|
1.0
|
OD2
|
A:ASP181
|
2.4
|
22.8
|
1.0
|
OD2
|
A:ASP179
|
2.4
|
26.1
|
1.0
|
OD2
|
A:ASP235
|
2.4
|
22.5
|
1.0
|
O
|
A:LYS225
|
2.5
|
22.9
|
1.0
|
OE2
|
A:GLU188
|
2.8
|
27.1
|
1.0
|
CD
|
A:GLU188
|
3.0
|
24.1
|
1.0
|
CG
|
A:ASP179
|
3.4
|
25.9
|
1.0
|
CG
|
A:ASP235
|
3.5
|
24.2
|
1.0
|
CG
|
A:ASP181
|
3.5
|
25.6
|
1.0
|
C
|
A:LYS225
|
3.5
|
23.6
|
1.0
|
C
|
A:SER222
|
3.5
|
23.2
|
1.0
|
OD1
|
A:ASP179
|
3.9
|
25.1
|
1.0
|
OG1
|
A:THR228
|
3.9
|
21.3
|
1.0
|
CB
|
A:ASP235
|
4.0
|
24.5
|
1.0
|
O
|
A:TRP226
|
4.1
|
22.9
|
1.0
|
OD1
|
A:ASP181
|
4.2
|
24.8
|
1.0
|
CA
|
A:CA800
|
4.2
|
27.0
|
1.0
|
CA
|
A:PRO223
|
4.3
|
28.1
|
1.0
|
N
|
A:TRP226
|
4.3
|
22.9
|
1.0
|
CA
|
A:TRP226
|
4.3
|
24.7
|
1.0
|
N
|
A:LYS225
|
4.3
|
25.5
|
1.0
|
N
|
A:PRO223
|
4.3
|
27.3
|
1.0
|
C
|
A:TRP226
|
4.3
|
26.2
|
1.0
|
N
|
A:SER222
|
4.4
|
26.6
|
1.0
|
CG
|
A:GLU188
|
4.5
|
22.3
|
1.0
|
C
|
A:PRO223
|
4.5
|
27.8
|
1.0
|
CA
|
A:LYS225
|
4.5
|
24.0
|
1.0
|
OD1
|
A:ASP235
|
4.5
|
20.6
|
1.0
|
CA
|
A:SER222
|
4.5
|
24.5
|
1.0
|
OG
|
A:SER221
|
4.5
|
24.7
|
1.0
|
CB
|
A:ASP181
|
4.6
|
25.2
|
1.0
|
CB
|
A:ASP179
|
4.6
|
26.5
|
1.0
|
CB
|
A:SER221
|
4.7
|
23.6
|
1.0
|
N
|
A:GLU224
|
4.8
|
27.7
|
1.0
|
O
|
A:PRO223
|
4.9
|
25.6
|
1.0
|
C
|
A:SER221
|
5.0
|
20.9
|
1.0
|
|
Reference:
G.K.Feld,
A.F.Kintzer,
I.I.Tang,
K.L.Thoren,
B.A.Krantz.
Domain Flexibility Modulates the Heterogeneous Assembly Mechanism of Anthrax Toxin Protective Antigen. J.Mol.Biol. V. 415 159 2012.
ISSN: ISSN 0022-2836
PubMed: 22063095
DOI: 10.1016/J.JMB.2011.10.035
Page generated: Sat Jul 13 19:40:41 2024
|