Calcium in PDB 7rah: Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
Protein crystallography data
The structure of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab, PDB code: 7rah
was solved by
J.A.Goldsmith,
J.S.Mclellan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
55.81 /
2.60
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.559,
117.02,
254.709,
90,
90,
90
|
|
R / Rfree (%)
|
19.5 /
21.8
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
19;
Binding sites:
The binding sites of Calcium atom in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
(pdb code 7rah). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 19 binding sites of Calcium where determined in the
Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab, PDB code: 7rah:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 1 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1501
b:76.2
occ:1.00
|
OD2
|
E:ASP1065
|
2.1
|
69.2
|
1.0
|
|
O
|
E:ALA1082
|
2.3
|
63.8
|
1.0
|
|
OD1
|
E:ASP1085
|
2.4
|
53.2
|
1.0
|
|
O
|
E:GLY1080
|
2.4
|
64.2
|
1.0
|
|
O
|
E:GLY1061
|
2.4
|
69.8
|
1.0
|
|
O
|
E:GLY1063
|
2.4
|
58.0
|
1.0
|
|
OD2
|
E:ASP1085
|
2.9
|
61.0
|
1.0
|
|
CG
|
E:ASP1085
|
2.9
|
54.3
|
1.0
|
|
CG
|
E:ASP1065
|
3.3
|
56.7
|
1.0
|
|
C
|
E:GLY1061
|
3.5
|
63.6
|
1.0
|
|
C
|
E:ALA1082
|
3.5
|
56.2
|
1.0
|
|
C
|
E:GLY1080
|
3.5
|
60.4
|
1.0
|
|
C
|
E:GLY1063
|
3.6
|
54.9
|
1.0
|
|
N
|
E:GLY1061
|
4.0
|
71.5
|
1.0
|
|
C
|
E:GLY1081
|
4.0
|
62.2
|
1.0
|
|
N
|
E:GLY1063
|
4.0
|
58.6
|
1.0
|
|
CB
|
E:ASP1065
|
4.1
|
48.4
|
1.0
|
|
N
|
E:ALA1082
|
4.1
|
66.8
|
1.0
|
|
C
|
E:ALA1062
|
4.2
|
62.8
|
1.0
|
|
O
|
E:GLY1081
|
4.2
|
65.2
|
1.0
|
|
OD1
|
E:ASP1065
|
4.2
|
63.8
|
1.0
|
|
N
|
E:ASP1065
|
4.3
|
54.2
|
1.0
|
|
CA
|
E:GLY1061
|
4.4
|
65.2
|
1.0
|
|
C
|
E:GLY1060
|
4.4
|
69.2
|
1.0
|
|
CB
|
E:ASP1085
|
4.4
|
49.1
|
1.0
|
|
N
|
E:ALA1062
|
4.4
|
68.4
|
1.0
|
|
CA
|
E:GLY1081
|
4.4
|
56.8
|
1.0
|
|
CA
|
E:GLY1080
|
4.4
|
50.4
|
1.0
|
|
N
|
E:GLY1081
|
4.4
|
62.2
|
1.0
|
|
N
|
E:GLY1083
|
4.4
|
55.5
|
1.0
|
|
CA
|
E:GLY1083
|
4.4
|
56.1
|
1.0
|
|
CA
|
E:GLY1063
|
4.4
|
58.5
|
1.0
|
|
O
|
E:HOH1619
|
4.5
|
58.5
|
1.0
|
|
CA
|
E:ALA1082
|
4.5
|
58.9
|
1.0
|
|
CA
|
E:ALA1062
|
4.5
|
67.8
|
1.0
|
|
O
|
E:ALA1062
|
4.6
|
65.0
|
1.0
|
|
C
|
E:GLY1083
|
4.6
|
52.7
|
1.0
|
|
CA
|
E:GLY1060
|
4.6
|
59.0
|
1.0
|
|
N
|
E:ASP1064
|
4.7
|
57.1
|
1.0
|
|
O
|
E:GLY1083
|
4.7
|
60.7
|
1.0
|
|
CA
|
E:ASP1064
|
4.8
|
54.0
|
1.0
|
|
C
|
E:ASP1064
|
4.8
|
56.2
|
1.0
|
|
CA
|
E:CA1502
|
4.8
|
76.8
|
1.0
|
|
CA
|
E:ASP1065
|
4.8
|
54.6
|
1.0
|
|
O
|
E:GLY1060
|
5.0
|
74.9
|
1.0
|
|
Calcium binding site 2 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 2 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1502
b:76.8
occ:1.00
|
OD2
|
E:ASP1085
|
2.4
|
61.0
|
1.0
|
|
O
|
E:GLY1081
|
2.4
|
65.2
|
1.0
|
|
O
|
E:ASN1132
|
2.5
|
62.1
|
1.0
|
|
O
|
E:GLY1083
|
2.5
|
60.7
|
1.0
|
|
O
|
E:HOH1641
|
2.5
|
55.7
|
1.0
|
|
OE2
|
E:GLU1134
|
2.7
|
66.8
|
1.0
|
|
OE1
|
E:GLU1134
|
2.8
|
55.4
|
1.0
|
|
CD
|
E:GLU1134
|
3.1
|
54.9
|
1.0
|
|
CG
|
E:ASP1085
|
3.5
|
54.3
|
1.0
|
|
C
|
E:ASN1132
|
3.5
|
56.0
|
1.0
|
|
C
|
E:GLY1081
|
3.6
|
62.2
|
1.0
|
|
C
|
E:GLY1083
|
3.7
|
52.7
|
1.0
|
|
C
|
E:ALA1082
|
3.9
|
56.2
|
1.0
|
|
O
|
E:ALA1082
|
3.9
|
63.8
|
1.0
|
|
CB
|
E:ASN1132
|
3.9
|
56.6
|
1.0
|
|
CB
|
E:ASP1085
|
4.1
|
49.1
|
1.0
|
|
CA
|
E:ASN1132
|
4.1
|
54.0
|
1.0
|
|
N
|
E:GLY1083
|
4.2
|
55.5
|
1.0
|
|
CA
|
E:ALA1082
|
4.3
|
58.9
|
1.0
|
|
N
|
E:ASP1085
|
4.3
|
47.6
|
1.0
|
|
C
|
E:GLY1080
|
4.4
|
60.4
|
1.0
|
|
N
|
E:ALA1082
|
4.4
|
66.8
|
1.0
|
|
N
|
E:GLY1081
|
4.4
|
62.2
|
1.0
|
|
OD1
|
E:ASP1085
|
4.5
|
53.2
|
1.0
|
|
CA
|
E:GLY1083
|
4.5
|
56.1
|
1.0
|
|
N
|
E:ILE1133
|
4.5
|
57.4
|
1.0
|
|
O
|
E:GLY1080
|
4.5
|
64.2
|
1.0
|
|
CG
|
E:GLU1134
|
4.6
|
51.4
|
1.0
|
|
N
|
E:VAL1084
|
4.6
|
54.8
|
1.0
|
|
CA
|
E:GLY1081
|
4.7
|
56.8
|
1.0
|
|
CA
|
E:VAL1084
|
4.7
|
53.1
|
1.0
|
|
CA
|
E:GLY1080
|
4.8
|
50.4
|
1.0
|
|
CA
|
E:ILE1133
|
4.8
|
52.7
|
1.0
|
|
CA
|
E:CA1501
|
4.8
|
76.2
|
1.0
|
|
C
|
E:VAL1084
|
4.9
|
48.2
|
1.0
|
|
CA
|
E:ASP1085
|
4.9
|
46.8
|
1.0
|
|
O
|
E:HOH1652
|
4.9
|
60.5
|
1.0
|
|
N
|
E:GLU1134
|
5.0
|
54.3
|
1.0
|
|
Calcium binding site 3 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 3 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1503
b:53.3
occ:1.00
|
OD2
|
E:ASP1143
|
2.2
|
51.0
|
1.0
|
|
O
|
E:ASP1158
|
2.3
|
49.4
|
1.0
|
|
OD1
|
E:ASP1161
|
2.3
|
46.7
|
1.0
|
|
O
|
E:GLY1156
|
2.3
|
49.6
|
1.0
|
|
O
|
E:SER1139
|
2.4
|
53.6
|
1.0
|
|
O
|
E:LEU1141
|
2.4
|
51.2
|
1.0
|
|
CG
|
E:ASP1161
|
3.1
|
50.0
|
1.0
|
|
OD2
|
E:ASP1161
|
3.2
|
46.6
|
1.0
|
|
CG
|
E:ASP1143
|
3.3
|
49.6
|
1.0
|
|
C
|
E:SER1139
|
3.4
|
50.5
|
1.0
|
|
C
|
E:GLY1156
|
3.5
|
46.6
|
1.0
|
|
C
|
E:ASP1158
|
3.5
|
50.7
|
1.0
|
|
C
|
E:LEU1141
|
3.6
|
54.4
|
1.0
|
|
N
|
E:LEU1141
|
3.8
|
52.3
|
1.0
|
|
N
|
E:SER1139
|
3.9
|
50.6
|
1.0
|
|
OD1
|
E:ASP1143
|
4.0
|
49.5
|
1.0
|
|
O
|
E:HIS1157
|
4.0
|
50.7
|
1.0
|
|
C
|
E:HIS1157
|
4.0
|
51.6
|
1.0
|
|
N
|
E:ASP1158
|
4.2
|
46.1
|
1.0
|
|
CB
|
E:ASP1143
|
4.2
|
47.2
|
1.0
|
|
C
|
E:ARG1140
|
4.2
|
53.3
|
1.0
|
|
CA
|
E:SER1139
|
4.2
|
49.6
|
1.0
|
|
OG
|
E:SER1139
|
4.3
|
53.8
|
1.0
|
|
N
|
E:ASP1143
|
4.3
|
48.2
|
1.0
|
|
CA
|
E:GLY1156
|
4.3
|
50.8
|
1.0
|
|
N
|
E:ARG1140
|
4.3
|
50.8
|
1.0
|
|
CA
|
E:LEU1141
|
4.4
|
57.4
|
1.0
|
|
N
|
E:GLY1159
|
4.4
|
47.9
|
1.0
|
|
CA
|
E:ARG1140
|
4.4
|
55.1
|
1.0
|
|
CA
|
E:GLY1159
|
4.4
|
48.2
|
1.0
|
|
N
|
E:HIS1157
|
4.4
|
51.0
|
1.0
|
|
CB
|
E:ASP1161
|
4.4
|
47.0
|
1.0
|
|
CA
|
E:ASP1158
|
4.5
|
47.2
|
1.0
|
|
O
|
E:GLY1159
|
4.5
|
46.0
|
1.0
|
|
CA
|
E:HIS1157
|
4.6
|
53.3
|
1.0
|
|
C
|
E:GLY1138
|
4.6
|
49.8
|
1.0
|
|
C
|
E:GLY1159
|
4.6
|
50.9
|
1.0
|
|
N
|
E:ASN1142
|
4.6
|
52.5
|
1.0
|
|
CB
|
E:HIS1157
|
4.7
|
47.0
|
1.0
|
|
CA
|
E:CA1505
|
4.8
|
37.4
|
1.0
|
|
CA
|
E:ASN1142
|
4.8
|
48.4
|
1.0
|
|
CA
|
E:GLY1138
|
4.9
|
45.9
|
1.0
|
|
O
|
E:ARG1140
|
4.9
|
58.5
|
1.0
|
|
CA
|
E:ASP1143
|
4.9
|
47.9
|
1.0
|
|
C
|
E:ASN1142
|
4.9
|
52.6
|
1.0
|
|
CB
|
E:SER1139
|
4.9
|
50.6
|
1.0
|
|
Calcium binding site 4 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 4 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1504
b:40.0
occ:1.00
|
OD1
|
E:ASP1170
|
2.2
|
55.0
|
1.0
|
|
O
|
E:GLY1167
|
2.3
|
47.0
|
1.0
|
|
O
|
E:GLN1150
|
2.3
|
46.2
|
1.0
|
|
O
|
E:GLY1165
|
2.4
|
50.4
|
1.0
|
|
O
|
E:ASP1148
|
2.4
|
54.7
|
1.0
|
|
OD1
|
E:ASN1152
|
2.4
|
54.2
|
1.0
|
|
CG
|
E:ASP1170
|
3.0
|
52.2
|
1.0
|
|
OD2
|
E:ASP1170
|
3.2
|
51.6
|
1.0
|
|
CG
|
E:ASN1152
|
3.4
|
53.6
|
1.0
|
|
C
|
E:ASP1148
|
3.5
|
55.5
|
1.0
|
|
C
|
E:GLY1167
|
3.5
|
55.8
|
1.0
|
|
C
|
E:GLY1165
|
3.5
|
53.0
|
1.0
|
|
C
|
E:GLN1150
|
3.5
|
52.9
|
1.0
|
|
N
|
E:GLN1150
|
3.9
|
56.0
|
1.0
|
|
C
|
E:ARG1166
|
4.0
|
52.1
|
1.0
|
|
N
|
E:ASP1148
|
4.0
|
50.7
|
1.0
|
|
N
|
E:GLY1167
|
4.1
|
51.5
|
1.0
|
|
OD1
|
E:ASP1148
|
4.1
|
54.7
|
1.0
|
|
O
|
E:ARG1166
|
4.1
|
47.9
|
1.0
|
|
C
|
E:ASP1149
|
4.1
|
56.3
|
1.0
|
|
N
|
E:ASN1152
|
4.1
|
47.1
|
1.0
|
|
CB
|
E:ASN1152
|
4.1
|
51.2
|
1.0
|
|
CA
|
E:ASP1149
|
4.3
|
60.0
|
1.0
|
|
N
|
E:ASP1149
|
4.3
|
58.9
|
1.0
|
|
ND2
|
E:ASN1152
|
4.3
|
51.1
|
1.0
|
|
CA
|
E:GLN1150
|
4.3
|
57.0
|
1.0
|
|
CA
|
E:GLY1165
|
4.4
|
51.0
|
1.0
|
|
CA
|
E:ASP1148
|
4.4
|
56.9
|
1.0
|
|
CA
|
E:GLY1167
|
4.4
|
54.8
|
1.0
|
|
CB
|
E:ASP1170
|
4.4
|
47.9
|
1.0
|
|
N
|
E:ARG1166
|
4.4
|
51.4
|
1.0
|
|
N
|
E:GLY1168
|
4.5
|
51.3
|
1.0
|
|
N
|
E:ASP1151
|
4.5
|
53.4
|
1.0
|
|
CB
|
E:ARG1166
|
4.5
|
50.0
|
1.0
|
|
CA
|
E:ARG1166
|
4.5
|
47.6
|
1.0
|
|
CA
|
E:GLY1168
|
4.5
|
43.9
|
1.0
|
|
O
|
E:GLY1168
|
4.6
|
49.0
|
1.0
|
|
CA
|
E:ASP1151
|
4.6
|
48.8
|
1.0
|
|
C
|
E:GLY1147
|
4.7
|
54.6
|
1.0
|
|
C
|
E:GLY1168
|
4.7
|
50.4
|
1.0
|
|
CA
|
E:CA1506
|
4.7
|
36.4
|
1.0
|
|
C
|
E:ASP1151
|
4.7
|
54.4
|
1.0
|
|
O
|
E:ASP1149
|
4.8
|
58.5
|
1.0
|
|
CA
|
E:ASN1152
|
4.8
|
50.1
|
1.0
|
|
CA
|
E:GLY1147
|
4.8
|
53.6
|
1.0
|
|
Calcium binding site 5 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 5 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1505
b:37.4
occ:1.00
|
O
|
E:HIS1157
|
2.3
|
50.7
|
1.0
|
|
OD2
|
E:ASP1161
|
2.3
|
46.6
|
1.0
|
|
OD1
|
E:ASP1179
|
2.3
|
48.1
|
1.0
|
|
O
|
E:GLY1159
|
2.3
|
46.0
|
1.0
|
|
O
|
E:GLY1174
|
2.4
|
42.0
|
1.0
|
|
O
|
E:LEU1176
|
2.4
|
44.8
|
1.0
|
|
OD2
|
E:ASP1179
|
3.0
|
43.3
|
1.0
|
|
CG
|
E:ASP1179
|
3.0
|
46.3
|
1.0
|
|
C
|
E:LEU1176
|
3.4
|
46.6
|
1.0
|
|
CG
|
E:ASP1161
|
3.5
|
50.0
|
1.0
|
|
C
|
E:GLY1174
|
3.5
|
42.3
|
1.0
|
|
C
|
E:HIS1157
|
3.5
|
51.6
|
1.0
|
|
C
|
E:GLY1159
|
3.5
|
50.9
|
1.0
|
|
C
|
E:ASP1158
|
3.8
|
50.7
|
1.0
|
|
C
|
E:GLY1175
|
3.8
|
45.3
|
1.0
|
|
O
|
E:GLY1175
|
3.9
|
50.0
|
1.0
|
|
O
|
E:ASP1158
|
4.0
|
49.4
|
1.0
|
|
N
|
E:GLY1159
|
4.0
|
47.9
|
1.0
|
|
N
|
E:GLY1177
|
4.0
|
41.2
|
1.0
|
|
CA
|
E:GLY1177
|
4.1
|
39.3
|
1.0
|
|
N
|
E:LEU1176
|
4.1
|
46.5
|
1.0
|
|
CA
|
E:ASP1158
|
4.2
|
47.2
|
1.0
|
|
C
|
E:GLY1156
|
4.2
|
46.6
|
1.0
|
|
CA
|
E:GLY1175
|
4.2
|
46.2
|
1.0
|
|
N
|
E:ASP1161
|
4.3
|
45.0
|
1.0
|
|
OD1
|
E:ASP1161
|
4.3
|
46.7
|
1.0
|
|
N
|
E:HIS1157
|
4.3
|
51.0
|
1.0
|
|
N
|
E:ASP1158
|
4.3
|
46.1
|
1.0
|
|
N
|
E:GLY1175
|
4.3
|
44.6
|
1.0
|
|
CB
|
E:ASP1161
|
4.3
|
47.0
|
1.0
|
|
CA
|
E:LEU1176
|
4.4
|
46.7
|
1.0
|
|
CA
|
E:GLY1159
|
4.4
|
48.2
|
1.0
|
|
O
|
E:GLY1156
|
4.4
|
49.6
|
1.0
|
|
CA
|
E:GLY1174
|
4.5
|
43.2
|
1.0
|
|
CB
|
E:ASP1179
|
4.5
|
40.4
|
1.0
|
|
C
|
E:GLY1177
|
4.5
|
46.7
|
1.0
|
|
N
|
E:ASN1160
|
4.5
|
53.1
|
1.0
|
|
CA
|
E:HIS1157
|
4.5
|
53.3
|
1.0
|
|
CA
|
E:GLY1156
|
4.6
|
50.8
|
1.0
|
|
O
|
E:GLY1177
|
4.7
|
48.0
|
1.0
|
|
CA
|
E:ASN1160
|
4.7
|
47.0
|
1.0
|
|
CA
|
E:CA1503
|
4.8
|
53.3
|
1.0
|
|
CA
|
E:CA1507
|
4.9
|
35.7
|
1.0
|
|
C
|
E:ASN1160
|
4.9
|
46.9
|
1.0
|
|
CA
|
E:ASP1161
|
5.0
|
51.0
|
1.0
|
|
Calcium binding site 6 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 6 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1506
b:36.4
occ:1.00
|
OD2
|
E:ASP1170
|
2.2
|
51.6
|
1.0
|
|
O
|
E:ASP1185
|
2.3
|
53.8
|
1.0
|
|
OD1
|
E:ASP1188
|
2.3
|
49.2
|
1.0
|
|
O
|
E:ARG1166
|
2.3
|
47.9
|
1.0
|
|
O
|
E:GLY1183
|
2.5
|
45.0
|
1.0
|
|
O
|
E:GLY1168
|
2.5
|
49.0
|
1.0
|
|
CG
|
E:ASP1188
|
3.1
|
46.7
|
1.0
|
|
OD2
|
E:ASP1188
|
3.2
|
48.9
|
1.0
|
|
C
|
E:ASP1185
|
3.4
|
52.2
|
1.0
|
|
CG
|
E:ASP1170
|
3.5
|
52.2
|
1.0
|
|
C
|
E:ARG1166
|
3.6
|
52.1
|
1.0
|
|
C
|
E:GLY1183
|
3.7
|
47.2
|
1.0
|
|
C
|
E:GLY1168
|
3.7
|
50.4
|
1.0
|
|
C
|
E:GLY1167
|
3.8
|
55.8
|
1.0
|
|
O
|
E:GLY1167
|
3.9
|
47.0
|
1.0
|
|
N
|
E:ASP1185
|
4.0
|
52.9
|
1.0
|
|
C
|
E:GLU1184
|
4.0
|
52.7
|
1.0
|
|
N
|
E:GLY1168
|
4.0
|
51.3
|
1.0
|
|
CA
|
E:GLY1167
|
4.1
|
54.8
|
1.0
|
|
O
|
E:GLU1184
|
4.1
|
46.0
|
1.0
|
|
CB
|
E:ASP1170
|
4.2
|
47.9
|
1.0
|
|
N
|
E:GLY1167
|
4.3
|
51.5
|
1.0
|
|
N
|
E:GLY1186
|
4.3
|
47.3
|
1.0
|
|
C
|
E:GLY1165
|
4.3
|
53.0
|
1.0
|
|
N
|
E:ASP1170
|
4.3
|
53.7
|
1.0
|
|
CA
|
E:ASP1185
|
4.3
|
52.0
|
1.0
|
|
OD1
|
E:ASP1170
|
4.3
|
55.0
|
1.0
|
|
CA
|
E:GLY1186
|
4.4
|
44.2
|
1.0
|
|
N
|
E:ARG1166
|
4.4
|
51.4
|
1.0
|
|
O
|
E:GLY1165
|
4.4
|
50.4
|
1.0
|
|
CA
|
E:GLY1168
|
4.5
|
43.9
|
1.0
|
|
CB
|
E:ASP1188
|
4.5
|
44.1
|
1.0
|
|
N
|
E:GLU1184
|
4.6
|
49.0
|
1.0
|
|
CA
|
E:GLU1184
|
4.6
|
50.9
|
1.0
|
|
CA
|
E:GLY1183
|
4.6
|
49.2
|
1.0
|
|
CB
|
E:GLU1184
|
4.6
|
50.7
|
1.0
|
|
CA
|
E:ARG1166
|
4.6
|
47.6
|
1.0
|
|
CA
|
E:GLY1165
|
4.7
|
51.0
|
1.0
|
|
C
|
E:GLY1186
|
4.7
|
46.4
|
1.0
|
|
CA
|
E:CA1504
|
4.7
|
40.0
|
1.0
|
|
N
|
E:ASP1169
|
4.7
|
54.4
|
1.0
|
|
CA
|
E:CA1508
|
4.8
|
44.6
|
1.0
|
|
O
|
E:GLY1186
|
4.9
|
54.6
|
1.0
|
|
CA
|
E:ASP1169
|
4.9
|
51.3
|
1.0
|
|
CA
|
E:ASP1170
|
4.9
|
50.9
|
1.0
|
|
Calcium binding site 7 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 7 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1507
b:35.7
occ:1.00
|
OE2
|
E:GLU1195
|
2.2
|
48.6
|
1.0
|
|
OD2
|
E:ASP1179
|
2.4
|
43.3
|
1.0
|
|
O
|
E:GLY1175
|
2.4
|
50.0
|
1.0
|
|
OD1
|
E:ASP1199
|
2.4
|
44.8
|
1.0
|
|
O
|
E:GLY1177
|
2.5
|
48.0
|
1.0
|
|
OD2
|
E:ASP1199
|
2.7
|
59.0
|
1.0
|
|
CG
|
E:ASP1199
|
2.9
|
50.8
|
1.0
|
|
CD
|
E:GLU1195
|
3.3
|
56.1
|
1.0
|
|
CG
|
E:ASP1179
|
3.5
|
46.3
|
1.0
|
|
C
|
E:GLY1177
|
3.6
|
46.7
|
1.0
|
|
C
|
E:GLY1175
|
3.7
|
45.3
|
1.0
|
|
N
|
E:GLY1177
|
3.7
|
41.2
|
1.0
|
|
OE1
|
E:GLU1195
|
3.8
|
59.1
|
1.0
|
|
C
|
E:LEU1176
|
4.0
|
46.6
|
1.0
|
|
CB
|
E:ASP1179
|
4.1
|
40.4
|
1.0
|
|
CA
|
E:GLY1177
|
4.2
|
39.3
|
1.0
|
|
CA
|
E:LEU1176
|
4.3
|
46.7
|
1.0
|
|
N
|
E:ASP1179
|
4.4
|
43.1
|
1.0
|
|
CB
|
E:ASP1199
|
4.4
|
41.9
|
1.0
|
|
C
|
E:GLY1174
|
4.5
|
42.3
|
1.0
|
|
N
|
E:LEU1176
|
4.5
|
46.5
|
1.0
|
|
N
|
E:GLY1175
|
4.5
|
44.6
|
1.0
|
|
CG
|
E:GLU1195
|
4.5
|
48.3
|
1.0
|
|
OD1
|
E:ASP1179
|
4.6
|
48.1
|
1.0
|
|
O
|
E:LEU1176
|
4.7
|
44.8
|
1.0
|
|
O
|
E:GLY1174
|
4.7
|
42.0
|
1.0
|
|
CA
|
E:GLY1175
|
4.7
|
46.2
|
1.0
|
|
N
|
E:LEU1178
|
4.7
|
47.2
|
1.0
|
|
CA
|
E:GLY1174
|
4.8
|
43.2
|
1.0
|
|
CA
|
E:CA1505
|
4.9
|
37.4
|
1.0
|
|
CA
|
E:ASP1179
|
4.9
|
47.0
|
1.0
|
|
Calcium binding site 8 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 8 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1508
b:44.6
occ:1.00
|
O
|
E:GLU1184
|
2.3
|
46.0
|
1.0
|
|
OD1
|
E:ASP1208
|
2.3
|
42.9
|
1.0
|
|
OD2
|
E:ASP1188
|
2.3
|
48.9
|
1.0
|
|
O
|
E:ALA1205
|
2.3
|
45.3
|
1.0
|
|
O
|
E:GLY1186
|
2.4
|
54.6
|
1.0
|
|
O
|
E:GLY1203
|
2.4
|
49.0
|
1.0
|
|
CG
|
E:ASP1208
|
3.1
|
47.9
|
1.0
|
|
OD2
|
E:ASP1208
|
3.3
|
52.1
|
1.0
|
|
C
|
E:GLU1184
|
3.5
|
52.7
|
1.0
|
|
CG
|
E:ASP1188
|
3.5
|
46.7
|
1.0
|
|
C
|
E:GLY1186
|
3.5
|
46.4
|
1.0
|
|
C
|
E:ALA1205
|
3.5
|
54.5
|
1.0
|
|
C
|
E:GLY1203
|
3.6
|
46.7
|
1.0
|
|
N
|
E:GLY1186
|
3.9
|
47.3
|
1.0
|
|
C
|
E:ASP1185
|
3.9
|
52.2
|
1.0
|
|
C
|
E:GLY1204
|
4.0
|
47.2
|
1.0
|
|
C
|
E:GLY1183
|
4.0
|
47.2
|
1.0
|
|
N
|
E:GLU1184
|
4.1
|
49.0
|
1.0
|
|
N
|
E:ALA1205
|
4.1
|
44.3
|
1.0
|
|
O
|
E:GLY1204
|
4.2
|
51.0
|
1.0
|
|
O
|
E:GLY1183
|
4.2
|
45.0
|
1.0
|
|
N
|
E:ASP1188
|
4.2
|
43.4
|
1.0
|
|
CA
|
E:GLY1204
|
4.2
|
44.0
|
1.0
|
|
CA
|
E:GLY1186
|
4.3
|
44.2
|
1.0
|
|
CB
|
E:ASP1188
|
4.3
|
44.1
|
1.0
|
|
O
|
E:ASP1185
|
4.3
|
53.8
|
1.0
|
|
N
|
E:ASP1185
|
4.4
|
52.9
|
1.0
|
|
CA
|
E:ASP1185
|
4.4
|
52.0
|
1.0
|
|
N
|
E:GLY1204
|
4.4
|
48.5
|
1.0
|
|
OD1
|
E:ASP1188
|
4.4
|
49.2
|
1.0
|
|
CA
|
E:GLU1184
|
4.4
|
50.9
|
1.0
|
|
N
|
E:GLY1206
|
4.4
|
47.1
|
1.0
|
|
CA
|
E:GLY1206
|
4.4
|
42.6
|
1.0
|
|
CA
|
E:ALA1205
|
4.5
|
43.9
|
1.0
|
|
CB
|
E:ASP1208
|
4.5
|
43.5
|
1.0
|
|
N
|
E:ASN1187
|
4.5
|
48.0
|
1.0
|
|
CA
|
E:GLY1183
|
4.5
|
49.2
|
1.0
|
|
CA
|
E:GLY1203
|
4.6
|
50.4
|
1.0
|
|
C
|
E:GLY1206
|
4.6
|
53.4
|
1.0
|
|
O
|
E:GLY1206
|
4.7
|
52.2
|
1.0
|
|
CA
|
E:ASN1187
|
4.7
|
49.4
|
1.0
|
|
CA
|
E:CA1506
|
4.8
|
36.4
|
1.0
|
|
CA
|
E:ASP1188
|
4.9
|
48.1
|
1.0
|
|
C
|
E:ASN1187
|
4.9
|
50.2
|
1.0
|
|
CA
|
E:CA1509
|
4.9
|
48.3
|
1.0
|
|
Calcium binding site 9 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 9 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1509
b:48.3
occ:1.00
|
OD2
|
E:ASP1208
|
2.3
|
52.1
|
1.0
|
|
OE2
|
E:GLU1258
|
2.4
|
58.2
|
1.0
|
|
O
|
E:GLY1206
|
2.4
|
52.2
|
1.0
|
|
O
|
E:ASN1256
|
2.4
|
47.4
|
1.0
|
|
O
|
E:HOH1640
|
2.4
|
48.3
|
1.0
|
|
O
|
E:GLY1204
|
2.5
|
51.0
|
1.0
|
|
OE1
|
E:GLU1258
|
2.8
|
50.9
|
1.0
|
|
CD
|
E:GLU1258
|
2.9
|
50.8
|
1.0
|
|
CG
|
E:ASP1208
|
3.5
|
47.9
|
1.0
|
|
C
|
E:ASN1256
|
3.5
|
51.3
|
1.0
|
|
C
|
E:GLY1206
|
3.6
|
53.4
|
1.0
|
|
C
|
E:GLY1204
|
3.6
|
47.2
|
1.0
|
|
C
|
E:ALA1205
|
3.9
|
54.5
|
1.0
|
|
O
|
E:HOH1662
|
4.0
|
63.8
|
1.0
|
|
N
|
E:GLY1206
|
4.0
|
47.1
|
1.0
|
|
CB
|
E:ASN1256
|
4.1
|
50.5
|
1.0
|
|
O
|
E:ALA1205
|
4.1
|
45.3
|
1.0
|
|
CA
|
E:ALA1205
|
4.3
|
43.9
|
1.0
|
|
CA
|
E:ASN1256
|
4.3
|
51.0
|
1.0
|
|
N
|
E:ASP1208
|
4.3
|
47.5
|
1.0
|
|
CB
|
E:ASP1208
|
4.3
|
43.5
|
1.0
|
|
C
|
E:GLY1203
|
4.4
|
46.7
|
1.0
|
|
CA
|
E:GLY1206
|
4.4
|
42.6
|
1.0
|
|
CG
|
E:GLU1258
|
4.4
|
37.8
|
1.0
|
|
N
|
E:ALA1205
|
4.4
|
44.3
|
1.0
|
|
OD1
|
E:ASP1208
|
4.4
|
42.9
|
1.0
|
|
N
|
E:GLY1204
|
4.5
|
48.5
|
1.0
|
|
O
|
E:GLY1203
|
4.5
|
49.0
|
1.0
|
|
N
|
E:VAL1257
|
4.5
|
51.8
|
1.0
|
|
N
|
E:LEU1207
|
4.5
|
49.0
|
1.0
|
|
CA
|
E:GLY1204
|
4.7
|
44.0
|
1.0
|
|
CA
|
E:GLY1203
|
4.7
|
50.4
|
1.0
|
|
CA
|
E:LEU1207
|
4.7
|
46.9
|
1.0
|
|
CA
|
E:VAL1257
|
4.7
|
43.1
|
1.0
|
|
N
|
E:GLU1258
|
4.9
|
45.3
|
1.0
|
|
C
|
E:LEU1207
|
4.9
|
51.2
|
1.0
|
|
CA
|
E:CA1508
|
4.9
|
44.6
|
1.0
|
|
CA
|
E:ASP1208
|
4.9
|
45.5
|
1.0
|
|
Calcium binding site 10 out
of 19 in 7rah
Go back to
Calcium Binding Sites List in 7rah
Calcium binding site 10 out
of 19 in the Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Adenylate Cyclase Toxin Rtx Domain Fragment Bound to M1H5 Fab and M2B10 Fab within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1510
b:41.3
occ:1.00
|
OD2
|
E:ASP1267
|
2.1
|
44.5
|
1.0
|
|
O
|
E:GLY1280
|
2.3
|
46.5
|
1.0
|
|
O
|
E:GLY1282
|
2.3
|
38.4
|
1.0
|
|
O
|
E:MET1265
|
2.3
|
37.1
|
1.0
|
|
OD1
|
E:ASP1285
|
2.4
|
48.6
|
1.0
|
|
O
|
E:THR1263
|
2.5
|
44.7
|
1.0
|
|
OD2
|
E:ASP1285
|
3.0
|
43.5
|
1.0
|
|
CG
|
E:ASP1285
|
3.1
|
46.0
|
1.0
|
|
CG
|
E:ASP1267
|
3.1
|
47.4
|
1.0
|
|
C
|
E:GLY1280
|
3.4
|
47.3
|
1.0
|
|
C
|
E:THR1263
|
3.5
|
35.6
|
1.0
|
|
C
|
E:GLY1282
|
3.5
|
41.4
|
1.0
|
|
C
|
E:MET1265
|
3.6
|
44.8
|
1.0
|
|
C
|
E:GLN1281
|
3.9
|
43.6
|
1.0
|
|
OD1
|
E:ASP1267
|
3.9
|
49.4
|
1.0
|
|
CB
|
E:ASP1267
|
4.0
|
39.8
|
1.0
|
|
N
|
E:THR1263
|
4.0
|
41.6
|
1.0
|
|
N
|
E:ASP1267
|
4.0
|
46.6
|
1.0
|
|
N
|
E:GLY1282
|
4.0
|
48.1
|
1.0
|
|
O
|
E:GLN1281
|
4.0
|
49.5
|
1.0
|
|
N
|
E:MET1265
|
4.1
|
48.1
|
1.0
|
|
C
|
E:SER1264
|
4.2
|
46.1
|
1.0
|
|
CA
|
E:GLY1280
|
4.2
|
43.9
|
1.0
|
|
CA
|
E:THR1263
|
4.3
|
35.5
|
1.0
|
|
N
|
E:SER1264
|
4.3
|
42.3
|
1.0
|
|
N
|
E:GLN1281
|
4.3
|
43.2
|
1.0
|
|
C
|
E:LYS1266
|
4.3
|
47.9
|
1.0
|
|
OG1
|
E:THR1263
|
4.4
|
45.8
|
1.0
|
|
CA
|
E:GLY1282
|
4.4
|
43.8
|
1.0
|
|
CA
|
E:SER1264
|
4.4
|
40.2
|
1.0
|
|
CB
|
E:GLN1281
|
4.5
|
44.6
|
1.0
|
|
CA
|
E:GLN1281
|
4.5
|
44.1
|
1.0
|
|
N
|
E:LYS1266
|
4.5
|
49.7
|
1.0
|
|
CA
|
E:LYS1266
|
4.5
|
47.8
|
1.0
|
|
CA
|
E:MET1265
|
4.5
|
49.9
|
1.0
|
|
N
|
E:GLY1283
|
4.5
|
39.9
|
1.0
|
|
CB
|
E:ASP1285
|
4.5
|
43.6
|
1.0
|
|
CA
|
E:ASP1267
|
4.6
|
44.5
|
1.0
|
|
O
|
E:SER1264
|
4.6
|
44.4
|
1.0
|
|
O
|
E:GLY1283
|
4.6
|
40.0
|
1.0
|
|
CA
|
E:GLY1283
|
4.6
|
47.3
|
1.0
|
|
C
|
E:GLY1262
|
4.7
|
39.3
|
1.0
|
|
CA
|
E:CA1512
|
4.8
|
35.7
|
1.0
|
|
C
|
E:GLY1283
|
4.8
|
45.5
|
1.0
|
|
CA
|
E:GLY1262
|
4.9
|
44.8
|
1.0
|
|
Reference:
J.A.Goldsmith,
A.M.Divenere,
J.A.Maynard,
J.S.Mclellan.
Structural Basis For Antibody Binding to Adenylate Cyclase Toxin Reveals Rtx Linkers As Neutralization-Sensitive Epitopes To Be Published.
Page generated: Thu Jul 10 00:42:10 2025
|
