Calcium in PDB 4yu6: Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
Protein crystallography data
The structure of Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen, PDB code: 4yu6
was solved by
J.L.Arolas,
T.Goulas,
F.X.Gomis-Ruth,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.67 /
2.60
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
176.980,
108.870,
100.410,
90.00,
119.07,
90.00
|
|
R / Rfree (%)
|
17.1 /
21.1
|
Other elements in 4yu6:
The structure of Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
(pdb code 4yu6). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the
Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen, PDB code: 4yu6:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Calcium binding site 1 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 1 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 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 Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1002
b:50.5
occ:1.00
|
O
|
A:GLN721
|
2.4
|
49.9
|
1.0
|
|
OD2
|
A:ASP699
|
2.4
|
54.1
|
1.0
|
|
O
|
A:HIS701
|
2.4
|
48.6
|
1.0
|
|
O
|
A:HOH1139
|
2.4
|
36.7
|
1.0
|
|
OD1
|
A:ASP699
|
2.4
|
39.0
|
1.0
|
|
O
|
A:HOH1109
|
2.4
|
40.4
|
1.0
|
|
OD1
|
A:ASP724
|
2.4
|
44.4
|
1.0
|
|
CG
|
A:ASP699
|
2.7
|
44.6
|
1.0
|
|
C
|
A:HIS701
|
3.4
|
48.6
|
1.0
|
|
C
|
A:GLN721
|
3.5
|
48.4
|
1.0
|
|
CG
|
A:ASP724
|
3.5
|
47.1
|
1.0
|
|
OD2
|
A:ASP724
|
3.8
|
46.9
|
1.0
|
|
CB
|
A:HIS701
|
3.9
|
42.9
|
1.0
|
|
CA
|
A:HIS701
|
4.1
|
43.0
|
1.0
|
|
CB
|
A:ASP699
|
4.2
|
37.9
|
1.0
|
|
CA
|
A:GLN721
|
4.3
|
46.9
|
1.0
|
|
N
|
A:ILE722
|
4.3
|
41.3
|
1.0
|
|
CA
|
A:ILE722
|
4.4
|
39.7
|
1.0
|
|
O
|
A:HOH1115
|
4.4
|
55.6
|
1.0
|
|
N
|
A:HIS701
|
4.4
|
42.8
|
1.0
|
|
N
|
A:PRO702
|
4.5
|
46.6
|
1.0
|
|
CA
|
A:PRO702
|
4.6
|
46.1
|
1.0
|
|
O
|
A:GLU703
|
4.6
|
54.4
|
1.0
|
|
O
|
A:HOH1127
|
4.7
|
46.2
|
1.0
|
|
CB
|
A:ASP724
|
4.8
|
49.9
|
1.0
|
|
N
|
A:ASP724
|
4.8
|
47.7
|
1.0
|
|
CB
|
A:GLN721
|
4.9
|
47.8
|
1.0
|
|
C
|
A:ASP724
|
4.9
|
50.4
|
1.0
|
|
C
|
A:ILE722
|
5.0
|
43.0
|
1.0
|
|
Calcium binding site 2 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 2 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 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 Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1003
b:63.9
occ:1.00
|
OD1
|
A:ASP305
|
2.3
|
53.4
|
1.0
|
|
O
|
A:VAL307
|
2.4
|
45.6
|
1.0
|
|
O
|
A:PHE290
|
2.4
|
50.5
|
1.0
|
|
OD1
|
A:ASP309
|
2.4
|
58.1
|
1.0
|
|
OD1
|
A:ASP288
|
2.4
|
52.1
|
1.0
|
|
O
|
A:HOH1152
|
2.5
|
55.6
|
1.0
|
|
CG
|
A:ASP305
|
3.2
|
51.7
|
1.0
|
|
C
|
A:PHE290
|
3.5
|
48.7
|
1.0
|
|
C
|
A:VAL307
|
3.5
|
45.2
|
1.0
|
|
CG
|
A:ASP288
|
3.6
|
53.6
|
1.0
|
|
CG
|
A:ASP309
|
3.6
|
55.3
|
1.0
|
|
OD2
|
A:ASP305
|
3.8
|
54.6
|
1.0
|
|
N
|
A:ASP305
|
3.9
|
44.2
|
1.0
|
|
N
|
A:PHE290
|
4.0
|
44.3
|
1.0
|
|
N
|
A:VAL307
|
4.0
|
40.3
|
1.0
|
|
CA
|
A:ASP288
|
4.0
|
41.4
|
1.0
|
|
CB
|
A:ASP288
|
4.1
|
42.7
|
1.0
|
|
CA
|
A:VAL307
|
4.2
|
39.5
|
1.0
|
|
N
|
A:ASP309
|
4.2
|
40.6
|
1.0
|
|
CB
|
A:ASP305
|
4.2
|
43.6
|
1.0
|
|
CA
|
A:PHE290
|
4.2
|
44.4
|
1.0
|
|
CA
|
A:ASP309
|
4.4
|
39.0
|
1.0
|
|
N
|
A:GLN289
|
4.4
|
41.4
|
1.0
|
|
OD2
|
A:ASP309
|
4.4
|
57.1
|
1.0
|
|
CB
|
A:VAL307
|
4.4
|
40.7
|
1.0
|
|
C
|
A:ASP288
|
4.4
|
46.0
|
1.0
|
|
CA
|
A:ASP305
|
4.4
|
43.0
|
1.0
|
|
N
|
A:ASP291
|
4.6
|
42.9
|
1.0
|
|
CB
|
A:ASP309
|
4.6
|
39.5
|
1.0
|
|
OD2
|
A:ASP288
|
4.6
|
62.9
|
1.0
|
|
C
|
A:ILE308
|
4.6
|
44.4
|
1.0
|
|
N
|
A:GLY306
|
4.6
|
42.7
|
1.0
|
|
N
|
A:ILE308
|
4.6
|
41.9
|
1.0
|
|
CB
|
A:PHE290
|
4.6
|
45.4
|
1.0
|
|
C
|
A:ASP305
|
4.7
|
47.9
|
1.0
|
|
C
|
A:PRO304
|
4.9
|
49.3
|
1.0
|
|
CA
|
A:ILE308
|
4.9
|
40.9
|
1.0
|
|
CA
|
A:ASP291
|
5.0
|
43.7
|
1.0
|
|
C
|
A:GLN289
|
5.0
|
46.3
|
1.0
|
|
Calcium binding site 3 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 3 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 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 Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1004
b:64.6
occ:1.00
|
O
|
A:GLY251
|
2.4
|
71.6
|
1.0
|
|
OD1
|
A:ASP259
|
2.4
|
69.8
|
1.0
|
|
O
|
A:ASP329
|
2.4
|
72.2
|
1.0
|
|
OE1
|
A:GLN320
|
2.4
|
54.8
|
1.0
|
|
O
|
A:ALA331
|
2.4
|
66.9
|
1.0
|
|
OD1
|
A:ASP253
|
2.4
|
72.0
|
1.0
|
|
CG
|
A:ASP253
|
3.4
|
71.7
|
1.0
|
|
CD
|
A:GLN320
|
3.4
|
68.7
|
1.0
|
|
C
|
A:GLY251
|
3.5
|
71.9
|
1.0
|
|
C
|
A:ALA331
|
3.5
|
67.5
|
1.0
|
|
C
|
A:ASP329
|
3.6
|
73.8
|
1.0
|
|
CG
|
A:ASP259
|
3.6
|
69.6
|
1.0
|
|
OD2
|
A:ASP253
|
3.7
|
70.6
|
1.0
|
|
N
|
A:ASP259
|
3.8
|
69.4
|
1.0
|
|
N
|
A:ALA331
|
4.1
|
68.3
|
1.0
|
|
CA
|
A:GLY251
|
4.1
|
65.2
|
1.0
|
|
C
|
A:ASP330
|
4.1
|
73.1
|
1.0
|
|
NE2
|
A:GLN320
|
4.2
|
58.6
|
1.0
|
|
CA
|
A:ASP259
|
4.3
|
67.7
|
1.0
|
|
CG
|
A:GLN320
|
4.3
|
58.0
|
1.0
|
|
CA
|
A:ASP330
|
4.3
|
71.3
|
1.0
|
|
N
|
A:ASP330
|
4.4
|
71.5
|
1.0
|
|
N
|
A:ILE332
|
4.4
|
61.5
|
1.0
|
|
CA
|
A:ILE332
|
4.4
|
59.4
|
1.0
|
|
OD2
|
A:ASP259
|
4.4
|
71.1
|
1.0
|
|
CA
|
A:ALA331
|
4.5
|
65.8
|
1.0
|
|
CB
|
A:GLN320
|
4.5
|
60.8
|
1.0
|
|
CB
|
A:ASP259
|
4.5
|
67.1
|
1.0
|
|
O
|
A:ASP330
|
4.5
|
72.8
|
1.0
|
|
N
|
A:ASP253
|
4.5
|
73.6
|
1.0
|
|
CA
|
A:ASP329
|
4.6
|
71.2
|
1.0
|
|
N
|
A:ALA252
|
4.6
|
70.4
|
1.0
|
|
C
|
A:ALA252
|
4.6
|
76.5
|
1.0
|
|
CB
|
A:HIS258
|
4.6
|
71.6
|
1.0
|
|
N
|
A:TRP333
|
4.6
|
63.7
|
1.0
|
|
CB
|
A:ASP253
|
4.7
|
73.1
|
1.0
|
|
C
|
A:ILE332
|
4.7
|
66.4
|
1.0
|
|
CA
|
A:ALA252
|
4.8
|
72.4
|
1.0
|
|
C
|
A:HIS258
|
4.8
|
74.1
|
1.0
|
|
CA
|
A:HIS258
|
4.8
|
72.0
|
1.0
|
|
CA
|
A:ASP253
|
5.0
|
72.7
|
1.0
|
|
O
|
A:ALA252
|
5.0
|
75.6
|
1.0
|
|
Calcium binding site 4 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 4 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 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 Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1005
b:54.7
occ:1.00
|
O
|
A:VAL598
|
2.4
|
55.1
|
1.0
|
|
OD1
|
A:ASP595
|
2.4
|
52.6
|
1.0
|
|
OE1
|
A:GLU532
|
2.4
|
57.5
|
1.0
|
|
O
|
A:ALA597
|
2.4
|
55.2
|
1.0
|
|
O
|
A:HOH1117
|
2.4
|
50.0
|
1.0
|
|
OD1
|
A:ASP536
|
2.4
|
45.6
|
1.0
|
|
OD2
|
A:ASP536
|
2.6
|
62.1
|
1.0
|
|
CG
|
A:ASP536
|
2.9
|
49.5
|
1.0
|
|
C
|
A:ALA597
|
3.4
|
54.0
|
1.0
|
|
C
|
A:VAL598
|
3.5
|
55.5
|
1.0
|
|
CG
|
A:ASP595
|
3.6
|
53.8
|
1.0
|
|
CD
|
A:GLU532
|
3.6
|
73.6
|
1.0
|
|
N
|
A:VAL598
|
4.1
|
50.1
|
1.0
|
|
CA
|
A:VAL598
|
4.1
|
49.4
|
1.0
|
|
O
|
A:ASP595
|
4.2
|
47.4
|
1.0
|
|
N
|
A:ASP595
|
4.2
|
45.6
|
1.0
|
|
CB
|
A:GLU532
|
4.2
|
51.0
|
1.0
|
|
CB
|
A:VAL598
|
4.3
|
52.5
|
1.0
|
|
OD2
|
A:ASP595
|
4.3
|
56.8
|
1.0
|
|
CB
|
A:ASP536
|
4.3
|
47.4
|
1.0
|
|
OD1
|
A:ASP502
|
4.4
|
70.2
|
1.0
|
|
OE2
|
A:GLU532
|
4.5
|
66.3
|
1.0
|
|
N
|
A:ALA597
|
4.5
|
50.2
|
1.0
|
|
CG
|
A:GLU532
|
4.5
|
56.1
|
1.0
|
|
CA
|
A:ALA597
|
4.5
|
48.7
|
1.0
|
|
C
|
A:ASP595
|
4.6
|
50.2
|
1.0
|
|
CB
|
A:CYS535
|
4.6
|
54.6
|
1.0
|
|
N
|
A:THR599
|
4.6
|
52.7
|
1.0
|
|
CB
|
A:ASP595
|
4.6
|
45.8
|
1.0
|
|
CA
|
A:ASP595
|
4.7
|
44.9
|
1.0
|
|
CB
|
A:THR594
|
4.7
|
53.2
|
1.0
|
|
O
|
A:HOH1147
|
4.9
|
57.7
|
1.0
|
|
CA
|
A:THR599
|
4.9
|
51.6
|
1.0
|
|
O
|
A:HOH1113
|
4.9
|
46.1
|
1.0
|
|
N
|
A:ASP536
|
4.9
|
47.6
|
1.0
|
|
Calcium binding site 5 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 5 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 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 Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1006
b:78.8
occ:1.00
|
O
|
A:ASN300
|
2.4
|
57.6
|
1.0
|
|
OE1
|
A:GLU303
|
2.4
|
77.6
|
1.0
|
|
OD1
|
A:ASN296
|
2.4
|
54.2
|
1.0
|
|
OD1
|
A:ASP294
|
2.4
|
74.4
|
1.0
|
|
OD1
|
A:ASP298
|
2.4
|
73.2
|
1.0
|
|
OD1
|
A:ASP291
|
2.4
|
63.2
|
1.0
|
|
C
|
A:ASN300
|
3.4
|
58.5
|
1.0
|
|
CG
|
A:ASP294
|
3.4
|
72.2
|
1.0
|
|
CG
|
A:ASP291
|
3.5
|
61.7
|
1.0
|
|
CG
|
A:ASP298
|
3.5
|
72.6
|
1.0
|
|
CD
|
A:GLU303
|
3.5
|
72.6
|
1.0
|
|
CG
|
A:ASN296
|
3.6
|
70.9
|
1.0
|
|
CA
|
A:ASP294
|
3.7
|
56.9
|
1.0
|
|
N
|
A:ASN300
|
3.8
|
59.9
|
1.0
|
|
CB
|
A:ASP294
|
3.9
|
58.3
|
1.0
|
|
CG
|
A:GLU303
|
4.0
|
57.0
|
1.0
|
|
CA
|
A:ASN300
|
4.0
|
58.4
|
1.0
|
|
C
|
A:ASP294
|
4.1
|
64.2
|
1.0
|
|
OD2
|
A:ASP298
|
4.1
|
75.4
|
1.0
|
|
OD2
|
A:ASP291
|
4.2
|
69.6
|
1.0
|
|
ND2
|
A:ASN296
|
4.2
|
59.7
|
1.0
|
|
CB
|
A:ASP291
|
4.3
|
46.8
|
1.0
|
|
N
|
A:ASP298
|
4.3
|
65.9
|
1.0
|
|
CB
|
A:ASN300
|
4.3
|
58.7
|
1.0
|
|
OD2
|
A:ASP294
|
4.4
|
80.9
|
1.0
|
|
N
|
A:ASN296
|
4.5
|
62.2
|
1.0
|
|
N
|
A:GLN301
|
4.5
|
52.5
|
1.0
|
|
OE2
|
A:GLU303
|
4.6
|
76.6
|
1.0
|
|
CB
|
A:ASP298
|
4.6
|
67.0
|
1.0
|
|
N
|
A:THR295
|
4.6
|
60.3
|
1.0
|
|
O
|
A:ASP294
|
4.6
|
65.7
|
1.0
|
|
N
|
A:SER297
|
4.7
|
64.5
|
1.0
|
|
N
|
A:GLY299
|
4.7
|
58.0
|
1.0
|
|
CB
|
A:ASN296
|
4.8
|
59.3
|
1.0
|
|
CA
|
A:ASP298
|
4.8
|
65.3
|
1.0
|
|
CA
|
A:GLN301
|
4.9
|
50.0
|
1.0
|
|
N
|
A:ASP294
|
4.9
|
56.0
|
1.0
|
|
C
|
A:ASP298
|
4.9
|
65.3
|
1.0
|
|
CA
|
A:ASN296
|
4.9
|
62.7
|
1.0
|
|
C
|
A:ASN296
|
4.9
|
67.7
|
1.0
|
|
C
|
A:GLY299
|
5.0
|
63.2
|
1.0
|
|
Calcium binding site 6 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 6 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 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 Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1002
b:50.7
occ:1.00
|
O
|
B:GLN721
|
2.3
|
48.1
|
1.0
|
|
O
|
B:HOH1128
|
2.4
|
47.9
|
1.0
|
|
O
|
B:HOH1122
|
2.4
|
48.6
|
1.0
|
|
O
|
B:HIS701
|
2.4
|
48.4
|
1.0
|
|
OD2
|
B:ASP699
|
2.4
|
54.5
|
1.0
|
|
OD1
|
B:ASP724
|
2.4
|
51.9
|
1.0
|
|
OD1
|
B:ASP699
|
2.5
|
52.8
|
1.0
|
|
CG
|
B:ASP699
|
2.8
|
50.2
|
1.0
|
|
C
|
B:GLN721
|
3.4
|
48.5
|
1.0
|
|
CG
|
B:ASP724
|
3.5
|
50.1
|
1.0
|
|
C
|
B:HIS701
|
3.5
|
47.3
|
1.0
|
|
OD2
|
B:ASP724
|
3.8
|
47.4
|
1.0
|
|
CB
|
B:HIS701
|
3.9
|
41.7
|
1.0
|
|
CA
|
B:HIS701
|
4.2
|
42.2
|
1.0
|
|
CA
|
B:GLN721
|
4.3
|
45.4
|
1.0
|
|
CB
|
B:ASP699
|
4.3
|
42.5
|
1.0
|
|
N
|
B:ILE722
|
4.3
|
43.9
|
1.0
|
|
O
|
B:HOH1124
|
4.4
|
53.5
|
1.0
|
|
CA
|
B:ILE722
|
4.4
|
42.2
|
1.0
|
|
N
|
B:PRO702
|
4.5
|
43.5
|
1.0
|
|
N
|
B:HIS701
|
4.5
|
42.7
|
1.0
|
|
O
|
B:GLU703
|
4.5
|
53.3
|
1.0
|
|
CA
|
B:PRO702
|
4.6
|
42.8
|
1.0
|
|
CB
|
B:GLN721
|
4.8
|
46.3
|
1.0
|
|
CB
|
B:ASP724
|
4.8
|
44.2
|
1.0
|
|
N
|
B:ASP724
|
4.8
|
43.5
|
1.0
|
|
OE1
|
B:GLN721
|
4.9
|
45.6
|
1.0
|
|
C
|
B:ASP724
|
4.9
|
44.3
|
1.0
|
|
C
|
B:ILE722
|
5.0
|
46.0
|
1.0
|
|
C
|
B:PRO702
|
5.0
|
49.0
|
1.0
|
|
Calcium binding site 7 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 7 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1003
b:66.1
occ:1.00
|
OD1
|
B:ASP309
|
2.4
|
52.0
|
1.0
|
|
OD1
|
B:ASP305
|
2.4
|
66.0
|
1.0
|
|
O
|
B:VAL307
|
2.4
|
54.3
|
1.0
|
|
O
|
B:HOH1136
|
2.4
|
57.0
|
1.0
|
|
O
|
B:PHE290
|
2.4
|
67.0
|
1.0
|
|
OD1
|
B:ASP288
|
2.4
|
63.6
|
1.0
|
|
CG
|
B:ASP305
|
3.3
|
66.9
|
1.0
|
|
CG
|
B:ASP288
|
3.5
|
61.6
|
1.0
|
|
C
|
B:VAL307
|
3.5
|
53.8
|
1.0
|
|
C
|
B:PHE290
|
3.6
|
69.1
|
1.0
|
|
CG
|
B:ASP309
|
3.6
|
53.5
|
1.0
|
|
OD2
|
B:ASP305
|
3.7
|
74.7
|
1.0
|
|
N
|
B:PHE290
|
3.9
|
61.8
|
1.0
|
|
CA
|
B:ASP288
|
3.9
|
52.2
|
1.0
|
|
N
|
B:GLN289
|
4.0
|
57.3
|
1.0
|
|
CB
|
B:ASP288
|
4.1
|
53.5
|
1.0
|
|
N
|
B:VAL307
|
4.2
|
51.4
|
1.0
|
|
N
|
B:ASP309
|
4.2
|
49.1
|
1.0
|
|
CA
|
B:VAL307
|
4.2
|
48.8
|
1.0
|
|
N
|
B:ASP305
|
4.3
|
62.3
|
1.0
|
|
CA
|
B:ASP309
|
4.3
|
46.5
|
1.0
|
|
C
|
B:ASP288
|
4.3
|
59.7
|
1.0
|
|
CB
|
B:VAL307
|
4.4
|
49.7
|
1.0
|
|
CA
|
B:PHE290
|
4.4
|
62.5
|
1.0
|
|
OD2
|
B:ASP309
|
4.4
|
63.1
|
1.0
|
|
C
|
B:ILE308
|
4.5
|
52.3
|
1.0
|
|
OD2
|
B:ASP288
|
4.5
|
63.4
|
1.0
|
|
CB
|
B:ASP305
|
4.5
|
59.7
|
1.0
|
|
CB
|
B:ASP309
|
4.6
|
46.8
|
1.0
|
|
N
|
B:ILE308
|
4.6
|
48.7
|
1.0
|
|
N
|
B:ASP291
|
4.7
|
71.3
|
1.0
|
|
O
|
B:ILE308
|
4.8
|
53.1
|
1.0
|
|
C
|
B:GLN289
|
4.9
|
65.8
|
1.0
|
|
CA
|
B:ASP305
|
4.9
|
60.0
|
1.0
|
|
N
|
B:GLY306
|
4.9
|
54.7
|
1.0
|
|
CA
|
B:ILE308
|
4.9
|
47.4
|
1.0
|
|
CA
|
B:ASP291
|
4.9
|
74.3
|
1.0
|
|
Calcium binding site 8 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 8 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1004
b:52.4
occ:1.00
|
O
|
B:ASP329
|
2.4
|
63.5
|
1.0
|
|
OD1
|
B:ASP259
|
2.4
|
56.0
|
1.0
|
|
OE1
|
B:GLN320
|
2.4
|
58.4
|
1.0
|
|
O
|
B:ALA331
|
2.4
|
51.7
|
1.0
|
|
O
|
B:GLY251
|
2.4
|
56.3
|
1.0
|
|
OD1
|
B:ASP253
|
2.4
|
63.6
|
1.0
|
|
CG
|
B:ASP253
|
3.4
|
63.0
|
1.0
|
|
CD
|
B:GLN320
|
3.4
|
62.0
|
1.0
|
|
C
|
B:GLY251
|
3.5
|
58.3
|
1.0
|
|
C
|
B:ALA331
|
3.5
|
52.1
|
1.0
|
|
C
|
B:ASP329
|
3.6
|
66.1
|
1.0
|
|
CG
|
B:ASP259
|
3.6
|
55.6
|
1.0
|
|
OD2
|
B:ASP253
|
3.7
|
61.8
|
1.0
|
|
N
|
B:ASP259
|
3.8
|
62.5
|
1.0
|
|
N
|
B:ALA331
|
4.1
|
54.0
|
1.0
|
|
CA
|
B:GLY251
|
4.1
|
54.7
|
1.0
|
|
C
|
B:ASP330
|
4.1
|
61.4
|
1.0
|
|
NE2
|
B:GLN320
|
4.2
|
53.8
|
1.0
|
|
CA
|
B:ASP259
|
4.3
|
61.5
|
1.0
|
|
CG
|
B:GLN320
|
4.3
|
44.5
|
1.0
|
|
CA
|
B:ASP330
|
4.4
|
60.6
|
1.0
|
|
N
|
B:ASP330
|
4.4
|
61.6
|
1.0
|
|
CA
|
B:ILE332
|
4.4
|
44.3
|
1.0
|
|
N
|
B:ILE332
|
4.4
|
45.7
|
1.0
|
|
OD2
|
B:ASP259
|
4.4
|
53.9
|
1.0
|
|
CA
|
B:ALA331
|
4.5
|
50.4
|
1.0
|
|
CB
|
B:GLN320
|
4.5
|
49.7
|
1.0
|
|
CB
|
B:ASP259
|
4.5
|
60.5
|
1.0
|
|
O
|
B:ASP330
|
4.5
|
60.9
|
1.0
|
|
N
|
B:ASP253
|
4.5
|
60.9
|
1.0
|
|
CA
|
B:ASP329
|
4.6
|
65.8
|
1.0
|
|
CB
|
B:HIS258
|
4.6
|
59.3
|
1.0
|
|
C
|
B:ALA252
|
4.6
|
63.4
|
1.0
|
|
N
|
B:ALA252
|
4.6
|
56.4
|
1.0
|
|
N
|
B:TRP333
|
4.6
|
51.4
|
1.0
|
|
CB
|
B:ASP253
|
4.7
|
62.3
|
1.0
|
|
C
|
B:ILE332
|
4.7
|
51.6
|
1.0
|
|
CA
|
B:ALA252
|
4.8
|
57.8
|
1.0
|
|
C
|
B:HIS258
|
4.8
|
66.6
|
1.0
|
|
CA
|
B:HIS258
|
4.9
|
60.8
|
1.0
|
|
CA
|
B:ASP253
|
5.0
|
61.4
|
1.0
|
|
O
|
B:ALA252
|
5.0
|
63.0
|
1.0
|
|
Calcium binding site 9 out
of 9 in 4yu6
Go back to
Calcium Binding Sites List in 4yu6
Calcium binding site 9 out
of 9 in the Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of Bacillus Anthracis Immune Inhibitor A2 Peptidase Zymogen within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1005
b:71.0
occ:1.00
|
O
|
B:HOH1111
|
2.4
|
62.0
|
1.0
|
|
O
|
B:VAL598
|
2.4
|
74.0
|
1.0
|
|
OD1
|
B:ASP595
|
2.4
|
79.7
|
1.0
|
|
OE1
|
B:GLU532
|
2.4
|
92.0
|
1.0
|
|
O
|
B:ALA597
|
2.4
|
84.2
|
1.0
|
|
OD1
|
B:ASP536
|
2.4
|
70.0
|
1.0
|
|
OD2
|
B:ASP536
|
2.6
|
73.7
|
1.0
|
|
CG
|
B:ASP536
|
2.8
|
68.6
|
1.0
|
|
C
|
B:ALA597
|
3.5
|
84.2
|
1.0
|
|
C
|
B:VAL598
|
3.5
|
76.7
|
1.0
|
|
CG
|
B:ASP595
|
3.6
|
81.3
|
1.0
|
|
CD
|
B:GLU532
|
3.6
|
97.8
|
1.0
|
|
N
|
B:VAL598
|
4.1
|
79.4
|
1.0
|
|
CA
|
B:VAL598
|
4.1
|
77.1
|
1.0
|
|
N
|
B:ASP595
|
4.2
|
66.1
|
1.0
|
|
O
|
B:ASP595
|
4.2
|
75.2
|
1.0
|
|
CB
|
B:GLU532
|
4.2
|
69.3
|
1.0
|
|
CB
|
B:VAL598
|
4.3
|
81.3
|
1.0
|
|
OD2
|
B:ASP595
|
4.3
|
89.7
|
1.0
|
|
CB
|
B:ASP536
|
4.3
|
61.2
|
1.0
|
|
OD1
|
B:ASP502
|
4.4
|
87.9
|
1.0
|
|
OE2
|
B:GLU532
|
4.5
|
82.5
|
1.0
|
|
N
|
B:ALA597
|
4.5
|
81.7
|
1.0
|
|
CG
|
B:GLU532
|
4.5
|
82.6
|
1.0
|
|
C
|
B:ASP595
|
4.5
|
76.3
|
1.0
|
|
CA
|
B:ALA597
|
4.6
|
82.0
|
1.0
|
|
CB
|
B:CYS535
|
4.6
|
73.3
|
1.0
|
|
CB
|
B:ASP595
|
4.6
|
72.1
|
1.0
|
|
N
|
B:THR599
|
4.6
|
73.6
|
1.0
|
|
CA
|
B:ASP595
|
4.6
|
69.2
|
1.0
|
|
CB
|
B:THR594
|
4.7
|
67.2
|
1.0
|
|
CA
|
B:THR599
|
4.9
|
71.6
|
1.0
|
|
N
|
B:ASP536
|
4.9
|
63.3
|
1.0
|
|
Reference:
J.L.Arolas,
T.Goulas,
A.P.Pomerantsev,
S.H.Leppla,
F.X.Gomis-Ruth.
Structural Basis For Latency and Function of Immune Inhibitor A Metallopeptidase, A Modulator of the Bacillus Anthracis Secretome. Structure V. 24 25 2016.
ISSN: ISSN 0969-2126
PubMed: 26745529
DOI: 10.1016/J.STR.2015.10.015
Page generated: Sun Jul 14 15:16:14 2024
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