Bromine in PDB 6tqd: D00-D0 Domain of Intimin
Protein crystallography data
The structure of D00-D0 Domain of Intimin, PDB code: 6tqd
was solved by
J.Weikum,
J.C.Leo,
J.P.Morth,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
24.83 /
1.48
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
56.039,
65.473,
79.378,
77.78,
76.55,
84.76
|
|
R / Rfree (%)
|
17.9 /
21.6
|
Other elements in 6tqd:
The structure of D00-D0 Domain of Intimin also contains other interesting chemical elements:
Bromine Binding Sites:
The binding sites of Bromine atom in the D00-D0 Domain of Intimin
(pdb code 6tqd). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the
D00-D0 Domain of Intimin, PDB code: 6tqd:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Bromine binding site 1 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 1 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br701
b:19.1
occ:0.38
|
O
|
A:HOH1010
|
2.9
|
20.9
|
1.0
|
|
O
|
A:HOH1064
|
3.1
|
25.4
|
1.0
|
|
HG
|
A:SER597
|
3.1
|
14.7
|
0.7
|
|
HA
|
A:ALA639
|
3.2
|
10.5
|
1.0
|
|
HB2
|
A:SER597
|
3.2
|
13.4
|
0.7
|
|
HG2
|
A:LYS637
|
3.3
|
12.6
|
1.0
|
|
O
|
F:HOH1050
|
3.3
|
30.8
|
1.0
|
|
HZ2
|
A:LYS637
|
3.3
|
18.6
|
1.0
|
|
HB3
|
A:SER597
|
3.3
|
13.1
|
0.3
|
|
HB2
|
A:SER597
|
3.5
|
13.1
|
0.3
|
|
C
|
A:THR638
|
3.5
|
6.6
|
1.0
|
|
HB3
|
A:LYS637
|
3.5
|
10.7
|
1.0
|
|
OG
|
A:SER597
|
3.5
|
12.2
|
0.7
|
|
HD3
|
A:LYS637
|
3.5
|
13.9
|
1.0
|
|
HZ1
|
A:LYS637
|
3.6
|
18.6
|
1.0
|
|
O
|
A:LYS637
|
3.6
|
9.2
|
1.0
|
|
HA
|
A:THR638
|
3.6
|
7.9
|
1.0
|
|
O
|
A:THR638
|
3.6
|
8.3
|
1.0
|
|
N
|
A:ALA639
|
3.7
|
9.5
|
1.0
|
|
NZ
|
A:LYS637
|
3.8
|
15.5
|
1.0
|
|
C
|
A:LYS637
|
3.8
|
8.6
|
1.0
|
|
CB
|
A:SER597
|
3.9
|
11.1
|
0.7
|
|
CB
|
A:SER597
|
3.9
|
10.9
|
0.3
|
|
CA
|
A:THR638
|
3.9
|
6.7
|
1.0
|
|
CG
|
A:LYS637
|
3.9
|
10.5
|
1.0
|
|
CA
|
A:ALA639
|
3.9
|
8.7
|
1.0
|
|
N
|
A:THR638
|
4.1
|
8.7
|
1.0
|
|
CB
|
A:LYS637
|
4.1
|
9.1
|
1.0
|
|
CD
|
A:LYS637
|
4.1
|
11.5
|
1.0
|
|
H
|
A:ALA639
|
4.1
|
11.4
|
1.0
|
|
H
|
A:SER597
|
4.2
|
9.9
|
0.3
|
|
H
|
A:SER597
|
4.2
|
9.8
|
0.7
|
|
HB3
|
A:SER597
|
4.4
|
13.4
|
0.7
|
|
O
|
A:HOH1135
|
4.4
|
32.7
|
1.0
|
|
O
|
A:HOH1060
|
4.4
|
48.6
|
1.0
|
|
HZ3
|
A:LYS637
|
4.5
|
18.6
|
1.0
|
|
CE
|
A:LYS637
|
4.6
|
14.3
|
1.0
|
|
HB2
|
A:ALA639
|
4.6
|
17.6
|
1.0
|
|
CA
|
A:LYS637
|
4.6
|
8.7
|
1.0
|
|
H
|
A:THR638
|
4.7
|
10.5
|
1.0
|
|
OG
|
A:SER597
|
4.7
|
13.1
|
0.3
|
|
N
|
A:SER597
|
4.8
|
8.2
|
0.3
|
|
HG3
|
A:LYS637
|
4.8
|
12.6
|
1.0
|
|
N
|
A:SER597
|
4.8
|
8.1
|
0.7
|
|
CB
|
A:ALA639
|
4.9
|
14.6
|
1.0
|
|
O
|
A:HOH839
|
4.9
|
14.3
|
1.0
|
|
HB2
|
A:LYS637
|
4.9
|
10.7
|
1.0
|
|
HD2
|
A:LYS637
|
5.0
|
13.9
|
1.0
|
|
O
|
A:HOH834
|
5.0
|
26.4
|
1.0
|
|
CA
|
A:SER597
|
5.0
|
8.8
|
0.7
|
|
CA
|
A:SER597
|
5.0
|
9.1
|
0.3
|
|
Bromine binding site 2 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 2 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br702
b:19.1
occ:0.37
|
HD22
|
A:ASN457
|
2.5
|
16.0
|
1.0
|
|
HE22
|
B:GLN511
|
2.7
|
18.5
|
1.0
|
|
HB3
|
A:ASN457
|
2.8
|
9.0
|
1.0
|
|
HA
|
A:PRO459
|
3.1
|
18.4
|
1.0
|
|
O
|
B:HOH858
|
3.2
|
28.1
|
1.0
|
|
O
|
A:HOH966
|
3.2
|
9.5
|
1.0
|
|
ND2
|
A:ASN457
|
3.3
|
13.3
|
1.0
|
|
NE2
|
B:GLN511
|
3.4
|
15.4
|
1.0
|
|
HE21
|
B:GLN511
|
3.6
|
18.5
|
1.0
|
|
CB
|
A:ASN457
|
3.7
|
7.6
|
1.0
|
|
H
|
A:ILE458
|
3.8
|
11.3
|
1.0
|
|
OE1
|
B:GLN500
|
3.9
|
18.7
|
1.0
|
|
HD21
|
A:ASN457
|
3.9
|
16.0
|
1.0
|
|
CA
|
A:PRO459
|
4.0
|
15.3
|
1.0
|
|
O
|
A:ILE458
|
4.0
|
14.4
|
1.0
|
|
CG
|
A:ASN457
|
4.0
|
11.6
|
1.0
|
|
C
|
A:ILE458
|
4.2
|
11.6
|
1.0
|
|
N
|
A:ILE458
|
4.2
|
9.4
|
1.0
|
|
HB3
|
A:PRO459
|
4.3
|
20.0
|
1.0
|
|
N
|
A:PRO459
|
4.3
|
13.0
|
1.0
|
|
HB2
|
A:ASN457
|
4.3
|
9.0
|
1.0
|
|
HA
|
A:ASN457
|
4.3
|
9.8
|
1.0
|
|
CA
|
A:ASN457
|
4.5
|
8.1
|
1.0
|
|
CD
|
B:GLN511
|
4.6
|
15.3
|
1.0
|
|
O
|
B:HOH862
|
4.6
|
27.6
|
1.0
|
|
HA
|
B:SER502
|
4.6
|
19.6
|
1.0
|
|
C
|
A:ASN457
|
4.7
|
9.9
|
1.0
|
|
NA
|
A:NA703
|
4.7
|
23.0
|
1.0
|
|
CB
|
A:PRO459
|
4.7
|
16.6
|
1.0
|
|
O
|
B:SER502
|
4.8
|
17.0
|
1.0
|
|
HD3
|
A:PRO459
|
4.9
|
21.9
|
1.0
|
|
CD
|
B:GLN500
|
4.9
|
14.9
|
1.0
|
|
OE1
|
B:GLN511
|
4.9
|
17.2
|
1.0
|
|
CA
|
A:ILE458
|
4.9
|
11.3
|
1.0
|
|
Bromine binding site 3 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 3 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br701
b:19.6
occ:0.26
|
OD1
|
B:ASN457
|
1.9
|
25.3
|
0.4
|
|
HD22
|
B:ASN457
|
2.5
|
15.6
|
0.6
|
|
CG
|
B:ASN457
|
2.7
|
17.5
|
0.4
|
|
HE22
|
C:GLN511
|
2.8
|
23.9
|
1.0
|
|
HD21
|
B:ASN457
|
2.9
|
25.9
|
0.4
|
|
HB3
|
B:ASN457
|
2.9
|
13.8
|
0.6
|
|
O
|
B:HOH905
|
3.1
|
10.8
|
1.0
|
|
ND2
|
B:ASN457
|
3.1
|
21.6
|
0.4
|
|
HA
|
B:PRO459
|
3.1
|
16.4
|
1.0
|
|
O
|
C:HOH808
|
3.3
|
34.4
|
1.0
|
|
ND2
|
B:ASN457
|
3.4
|
12.9
|
0.6
|
|
NE2
|
C:GLN511
|
3.5
|
19.9
|
1.0
|
|
HE21
|
C:GLN511
|
3.6
|
23.9
|
1.0
|
|
H
|
B:ILE458
|
3.6
|
9.7
|
0.4
|
|
H
|
B:ILE458
|
3.7
|
9.7
|
0.6
|
|
O
|
B:ILE458
|
3.8
|
13.0
|
1.0
|
|
CB
|
B:ASN457
|
3.8
|
11.5
|
0.6
|
|
OE1
|
C:GLN500
|
3.8
|
23.6
|
1.0
|
|
HD22
|
B:ASN457
|
3.9
|
25.9
|
0.4
|
|
HD21
|
B:ASN457
|
3.9
|
15.6
|
0.6
|
|
CB
|
B:ASN457
|
3.9
|
11.7
|
0.4
|
|
O
|
B:HOH1073
|
4.0
|
48.3
|
1.0
|
|
CA
|
B:PRO459
|
4.0
|
13.7
|
1.0
|
|
HB2
|
B:ASN457
|
4.1
|
14.1
|
0.4
|
|
C
|
B:ILE458
|
4.1
|
12.4
|
1.0
|
|
CG
|
B:ASN457
|
4.1
|
10.7
|
0.6
|
|
N
|
B:ILE458
|
4.2
|
8.1
|
1.0
|
|
HA
|
B:ASN457
|
4.2
|
11.4
|
0.4
|
|
N
|
B:PRO459
|
4.3
|
12.2
|
1.0
|
|
HA
|
B:ASN457
|
4.3
|
11.5
|
0.6
|
|
HA
|
C:SER502
|
4.4
|
26.7
|
1.0
|
|
HB3
|
B:PRO459
|
4.4
|
18.6
|
1.0
|
|
NA
|
B:NA703
|
4.5
|
29.4
|
1.0
|
|
HB2
|
B:ASN457
|
4.5
|
13.8
|
0.6
|
|
CA
|
B:ASN457
|
4.5
|
9.6
|
0.6
|
|
O
|
C:SER502
|
4.5
|
25.6
|
1.0
|
|
CA
|
B:ASN457
|
4.5
|
9.5
|
0.4
|
|
CD
|
C:GLN511
|
4.6
|
16.4
|
1.0
|
|
C
|
B:ASN457
|
4.6
|
8.1
|
0.6
|
|
HB3
|
B:ASN457
|
4.7
|
14.1
|
0.4
|
|
CD
|
C:GLN500
|
4.7
|
21.0
|
1.0
|
|
C
|
B:ASN457
|
4.8
|
8.0
|
0.4
|
|
CB
|
B:PRO459
|
4.8
|
15.5
|
1.0
|
|
CA
|
B:ILE458
|
4.8
|
9.1
|
1.0
|
|
O
|
B:HOH997
|
4.9
|
20.2
|
1.0
|
|
HD3
|
B:PRO459
|
4.9
|
18.3
|
1.0
|
|
O
|
C:HOH839
|
5.0
|
35.8
|
1.0
|
|
C
|
B:PRO459
|
5.0
|
13.3
|
1.0
|
|
Bromine binding site 4 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 4 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br702
b:17.0
occ:0.28
|
H
|
B:ASP627
|
2.7
|
18.8
|
1.0
|
|
HA
|
B:ALA605
|
2.9
|
12.9
|
1.0
|
|
HA
|
B:SER626
|
2.9
|
15.3
|
1.0
|
|
HG23
|
B:VAL606
|
3.0
|
20.3
|
1.0
|
|
HG22
|
B:THR604
|
3.2
|
13.9
|
1.0
|
|
O
|
B:HOH840
|
3.3
|
33.5
|
1.0
|
|
N
|
B:ASP627
|
3.5
|
15.6
|
1.0
|
|
O
|
B:HOH1004
|
3.6
|
17.0
|
1.0
|
|
OG
|
B:SER626
|
3.7
|
14.7
|
1.0
|
|
CA
|
B:ALA605
|
3.7
|
10.8
|
1.0
|
|
HB2
|
B:ASP627
|
3.7
|
32.5
|
1.0
|
|
HG2
|
B:LYS628
|
3.7
|
37.9
|
1.0
|
|
CA
|
B:SER626
|
3.8
|
12.9
|
1.0
|
|
CG2
|
B:VAL606
|
3.9
|
16.9
|
1.0
|
|
C
|
B:ALA605
|
4.0
|
10.1
|
1.0
|
|
N
|
B:ALA605
|
4.0
|
11.1
|
1.0
|
|
HG21
|
B:VAL606
|
4.1
|
20.3
|
1.0
|
|
CG2
|
B:THR604
|
4.2
|
11.5
|
1.0
|
|
O
|
B:THR604
|
4.2
|
14.7
|
1.0
|
|
CB
|
B:SER626
|
4.2
|
14.5
|
1.0
|
|
C
|
B:SER626
|
4.2
|
14.2
|
1.0
|
|
HG22
|
B:VAL606
|
4.2
|
20.3
|
1.0
|
|
C
|
B:THR604
|
4.3
|
11.5
|
1.0
|
|
H
|
B:LYS628
|
4.3
|
21.5
|
1.0
|
|
HB2
|
B:SER626
|
4.3
|
17.5
|
1.0
|
|
HG
|
B:SER626
|
4.3
|
17.6
|
1.0
|
|
H
|
B:ALA605
|
4.4
|
13.3
|
1.0
|
|
HG23
|
B:THR604
|
4.4
|
13.9
|
1.0
|
|
N
|
B:VAL606
|
4.4
|
10.8
|
1.0
|
|
O
|
B:LYS625
|
4.4
|
12.8
|
1.0
|
|
O
|
B:ALA605
|
4.4
|
11.4
|
1.0
|
|
H
|
B:VAL606
|
4.5
|
13.1
|
1.0
|
|
CB
|
B:ASP627
|
4.5
|
27.0
|
1.0
|
|
OD2
|
B:ASP627
|
4.5
|
40.6
|
1.0
|
|
CA
|
B:ASP627
|
4.5
|
20.7
|
1.0
|
|
HG21
|
B:THR604
|
4.5
|
13.9
|
1.0
|
|
CG
|
B:LYS628
|
4.7
|
31.5
|
1.0
|
|
N
|
B:LYS628
|
4.8
|
17.9
|
1.0
|
|
HG3
|
B:LYS628
|
4.8
|
37.9
|
1.0
|
|
N
|
B:SER626
|
4.9
|
13.2
|
1.0
|
|
HB
|
B:VAL606
|
4.9
|
19.3
|
1.0
|
|
CB
|
B:VAL606
|
4.9
|
16.1
|
1.0
|
|
CB
|
B:ALA605
|
4.9
|
11.3
|
1.0
|
|
CG
|
B:ASP627
|
5.0
|
35.7
|
1.0
|
|
Bromine binding site 5 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 5 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br701
b:24.3
occ:0.44
|
HA
|
C:ALA639
|
3.1
|
24.6
|
1.0
|
|
O
|
C:HOH1027
|
3.1
|
34.2
|
1.0
|
|
HZ1
|
C:LYS637
|
3.2
|
32.2
|
1.0
|
|
HG
|
C:SER597
|
3.2
|
36.9
|
1.0
|
|
HG2
|
C:LYS637
|
3.4
|
23.9
|
1.0
|
|
HD3
|
C:LYS637
|
3.4
|
27.9
|
1.0
|
|
HB2
|
C:SER597
|
3.5
|
28.6
|
1.0
|
|
C
|
C:THR638
|
3.5
|
16.6
|
1.0
|
|
HB3
|
C:LYS637
|
3.5
|
22.6
|
1.0
|
|
HZ2
|
C:LYS637
|
3.5
|
32.2
|
1.0
|
|
HA
|
C:THR638
|
3.6
|
18.5
|
1.0
|
|
N
|
C:ALA639
|
3.6
|
19.6
|
1.0
|
|
OG
|
C:SER597
|
3.7
|
30.7
|
1.0
|
|
O
|
C:THR638
|
3.7
|
17.9
|
1.0
|
|
O
|
C:LYS637
|
3.8
|
15.4
|
1.0
|
|
NZ
|
C:LYS637
|
3.8
|
26.9
|
1.0
|
|
CA
|
C:ALA639
|
3.8
|
20.5
|
1.0
|
|
CA
|
C:THR638
|
4.0
|
15.4
|
1.0
|
|
CG
|
C:LYS637
|
4.0
|
19.9
|
1.0
|
|
C
|
C:LYS637
|
4.0
|
14.1
|
1.0
|
|
H
|
C:ALA639
|
4.0
|
23.6
|
1.0
|
|
CD
|
C:LYS637
|
4.1
|
23.2
|
1.0
|
|
CB
|
C:SER597
|
4.1
|
23.8
|
1.0
|
|
CB
|
C:LYS637
|
4.2
|
18.9
|
1.0
|
|
N
|
C:THR638
|
4.2
|
14.5
|
1.0
|
|
HB2
|
C:ALA639
|
4.3
|
29.9
|
1.0
|
|
H
|
C:SER597
|
4.4
|
16.3
|
1.0
|
|
HZ3
|
C:LYS637
|
4.5
|
32.2
|
1.0
|
|
CE
|
C:LYS637
|
4.5
|
26.0
|
1.0
|
|
HB3
|
C:SER597
|
4.6
|
28.6
|
1.0
|
|
CB
|
C:ALA639
|
4.7
|
24.9
|
1.0
|
|
CA
|
C:LYS637
|
4.8
|
14.2
|
1.0
|
|
H
|
C:THR638
|
4.8
|
17.2
|
1.0
|
|
HG3
|
C:LYS637
|
4.9
|
23.9
|
1.0
|
|
HD2
|
C:LYS637
|
4.9
|
27.9
|
1.0
|
|
C
|
C:ALA639
|
4.9
|
23.7
|
1.0
|
|
O
|
C:HOH925
|
5.0
|
19.8
|
1.0
|
|
HB2
|
C:LYS637
|
5.0
|
22.6
|
1.0
|
|
HE3
|
C:LYS637
|
5.0
|
31.2
|
1.0
|
|
Bromine binding site 6 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 6 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br702
b:48.7
occ:0.44
|
HZ2
|
C:LYS625
|
2.9
|
37.9
|
1.0
|
|
HB2
|
C:ALA577
|
3.1
|
18.0
|
1.0
|
|
O
|
C:HOH880
|
3.2
|
26.5
|
1.0
|
|
HE2
|
C:LYS625
|
3.3
|
34.0
|
1.0
|
|
NZ
|
C:LYS625
|
3.6
|
31.6
|
1.0
|
|
HB3
|
C:ALA577
|
3.7
|
18.0
|
1.0
|
|
HE3
|
C:LYS625
|
3.7
|
34.0
|
1.0
|
|
CE
|
C:LYS625
|
3.7
|
28.3
|
1.0
|
|
CB
|
C:ALA577
|
3.8
|
15.0
|
1.0
|
|
HZ3
|
C:LYS625
|
3.9
|
37.9
|
1.0
|
|
HB1
|
C:ALA577
|
4.2
|
18.0
|
1.0
|
|
HZ1
|
C:LYS625
|
4.3
|
37.9
|
1.0
|
|
HG21
|
C:THR623
|
4.6
|
19.7
|
1.0
|
|
O
|
C:THR575
|
4.7
|
17.6
|
1.0
|
|
H
|
C:ALA577
|
4.9
|
16.1
|
1.0
|
|
O
|
C:HOH1078
|
5.0
|
49.4
|
1.0
|
|
Bromine binding site 7 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 7 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br702
b:17.9
occ:0.39
|
HG
|
D:SER597
|
3.0
|
22.9
|
1.0
|
|
HA
|
D:ALA639
|
3.1
|
10.1
|
1.0
|
|
HZ1
|
D:LYS637
|
3.1
|
18.5
|
1.0
|
|
O
|
D:HOH1007
|
3.2
|
23.8
|
1.0
|
|
O
|
D:HOH1119
|
3.2
|
20.1
|
1.0
|
|
O
|
C:HOH1039
|
3.2
|
27.2
|
1.0
|
|
HB2
|
D:SER597
|
3.3
|
16.3
|
1.0
|
|
HG2
|
D:LYS637
|
3.3
|
14.2
|
1.0
|
|
OG
|
D:SER597
|
3.4
|
19.1
|
1.0
|
|
HZ2
|
D:LYS637
|
3.4
|
18.5
|
1.0
|
|
C
|
D:THR638
|
3.5
|
5.9
|
1.0
|
|
HD3
|
D:LYS637
|
3.5
|
14.7
|
1.0
|
|
HB3
|
D:LYS637
|
3.6
|
9.7
|
1.0
|
|
O
|
D:THR638
|
3.6
|
7.1
|
1.0
|
|
N
|
D:ALA639
|
3.6
|
6.7
|
1.0
|
|
O
|
D:LYS637
|
3.6
|
8.9
|
1.0
|
|
HA
|
D:THR638
|
3.7
|
10.1
|
1.0
|
|
NZ
|
D:LYS637
|
3.7
|
15.4
|
1.0
|
|
O
|
D:HOH902
|
3.7
|
28.7
|
1.0
|
|
CA
|
D:ALA639
|
3.8
|
8.4
|
1.0
|
|
CB
|
D:SER597
|
3.9
|
13.6
|
1.0
|
|
C
|
D:LYS637
|
3.9
|
6.8
|
1.0
|
|
CA
|
D:THR638
|
4.0
|
8.4
|
1.0
|
|
CG
|
D:LYS637
|
4.0
|
11.8
|
1.0
|
|
H
|
D:ALA639
|
4.0
|
8.1
|
1.0
|
|
CD
|
D:LYS637
|
4.1
|
12.2
|
1.0
|
|
H
|
D:SER597
|
4.1
|
7.8
|
1.0
|
|
N
|
D:THR638
|
4.2
|
7.3
|
1.0
|
|
CB
|
D:LYS637
|
4.2
|
8.0
|
1.0
|
|
HB2
|
D:ALA639
|
4.3
|
11.3
|
1.0
|
|
HZ3
|
D:LYS637
|
4.4
|
18.5
|
1.0
|
|
HB3
|
D:SER597
|
4.5
|
16.3
|
1.0
|
|
CE
|
D:LYS637
|
4.5
|
14.6
|
1.0
|
|
CB
|
D:ALA639
|
4.7
|
9.4
|
1.0
|
|
O
|
D:HOH1128
|
4.7
|
39.1
|
1.0
|
|
CA
|
D:LYS637
|
4.7
|
4.8
|
1.0
|
|
N
|
D:SER597
|
4.8
|
6.5
|
1.0
|
|
H
|
D:THR638
|
4.8
|
8.8
|
1.0
|
|
O
|
D:HOH1165
|
4.8
|
34.8
|
1.0
|
|
O
|
D:HOH892
|
4.8
|
14.0
|
1.0
|
|
HG3
|
D:LYS637
|
4.9
|
14.2
|
1.0
|
|
C
|
D:ALA639
|
4.9
|
9.7
|
1.0
|
|
CA
|
D:SER597
|
5.0
|
6.7
|
1.0
|
|
HD2
|
D:LYS637
|
5.0
|
14.7
|
1.0
|
|
Bromine binding site 8 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 8 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Br701
b:16.1
occ:0.44
|
O
|
E:HOH994
|
3.0
|
20.2
|
1.0
|
|
O
|
E:HOH1043
|
3.1
|
22.6
|
1.0
|
|
HZ1
|
E:LYS637
|
3.1
|
19.3
|
1.0
|
|
HA
|
E:ALA639
|
3.2
|
12.2
|
1.0
|
|
HG2
|
E:LYS637
|
3.2
|
13.5
|
1.0
|
|
HZ3
|
E:LYS637
|
3.2
|
19.3
|
1.0
|
|
HD3
|
E:LYS637
|
3.4
|
13.0
|
1.0
|
|
HB2
|
E:SER597
|
3.4
|
15.6
|
0.5
|
|
HB3
|
E:SER597
|
3.5
|
15.6
|
0.5
|
|
C
|
E:THR638
|
3.5
|
9.6
|
1.0
|
|
HB3
|
E:LYS637
|
3.5
|
12.5
|
1.0
|
|
O
|
E:THR638
|
3.6
|
10.1
|
1.0
|
|
NZ
|
E:LYS637
|
3.6
|
16.1
|
1.0
|
|
HA
|
E:THR638
|
3.6
|
13.7
|
1.0
|
|
HB2
|
E:SER597
|
3.6
|
15.6
|
0.5
|
|
OG
|
E:SER597
|
3.7
|
15.1
|
0.5
|
|
N
|
E:ALA639
|
3.7
|
9.3
|
1.0
|
|
O
|
E:LYS637
|
3.7
|
11.4
|
1.0
|
|
O
|
B:HOH1054
|
3.8
|
37.1
|
1.0
|
|
CG
|
E:LYS637
|
3.9
|
11.2
|
1.0
|
|
CA
|
E:ALA639
|
3.9
|
10.2
|
1.0
|
|
C
|
E:LYS637
|
3.9
|
10.7
|
1.0
|
|
CA
|
E:THR638
|
3.9
|
11.4
|
1.0
|
|
CB
|
E:SER597
|
4.0
|
12.9
|
0.5
|
|
CD
|
E:LYS637
|
4.0
|
10.8
|
1.0
|
|
CB
|
E:SER597
|
4.0
|
13.0
|
0.5
|
|
N
|
E:THR638
|
4.1
|
10.5
|
1.0
|
|
CB
|
E:LYS637
|
4.1
|
10.6
|
1.0
|
|
H
|
E:ALA639
|
4.1
|
11.2
|
1.0
|
|
HZ2
|
E:LYS637
|
4.3
|
19.3
|
1.0
|
|
H
|
E:SER597
|
4.4
|
13.5
|
0.5
|
|
H
|
E:SER597
|
4.4
|
13.5
|
0.5
|
|
HG
|
E:SER597
|
4.4
|
18.1
|
0.5
|
|
CE
|
E:LYS637
|
4.4
|
15.0
|
1.0
|
|
HB2
|
E:ALA639
|
4.5
|
14.3
|
1.0
|
|
HB3
|
E:SER597
|
4.6
|
15.6
|
0.5
|
|
O
|
B:HOH1019
|
4.6
|
35.3
|
1.0
|
|
H
|
E:THR638
|
4.7
|
12.4
|
1.0
|
|
CA
|
E:LYS637
|
4.7
|
11.0
|
1.0
|
|
HG3
|
E:LYS637
|
4.7
|
13.5
|
1.0
|
|
CB
|
E:ALA639
|
4.8
|
11.9
|
1.0
|
|
OG
|
E:SER597
|
4.8
|
14.6
|
0.5
|
|
HD2
|
E:LYS637
|
4.9
|
13.0
|
1.0
|
|
O
|
E:HOH845
|
4.9
|
14.8
|
1.0
|
|
N
|
E:SER597
|
5.0
|
11.4
|
0.5
|
|
HB2
|
E:LYS637
|
5.0
|
12.5
|
1.0
|
|
N
|
E:SER597
|
5.0
|
11.4
|
0.5
|
|
HE3
|
E:LYS637
|
5.0
|
18.1
|
1.0
|
|
C
|
E:ALA639
|
5.0
|
11.9
|
1.0
|
|
Bromine binding site 9 out
of 9 in 6tqd
Go back to
Bromine Binding Sites List in 6tqd
Bromine binding site 9 out
of 9 in the D00-D0 Domain of Intimin
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of D00-D0 Domain of Intimin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Br701
b:57.9
occ:1.00
|
H
|
F:ASP627
|
2.5
|
30.7
|
1.0
|
|
HA
|
F:SER626
|
2.9
|
26.0
|
1.0
|
|
HG22
|
F:THR604
|
3.1
|
32.3
|
1.0
|
|
HG23
|
F:VAL606
|
3.1
|
28.1
|
1.0
|
|
HA
|
F:ALA605
|
3.2
|
26.4
|
1.0
|
|
N
|
F:ASP627
|
3.3
|
25.6
|
1.0
|
|
HB2
|
F:ASP627
|
3.4
|
42.8
|
1.0
|
|
O
|
F:HOH1024
|
3.5
|
38.4
|
1.0
|
|
O
|
F:HOH1026
|
3.7
|
35.9
|
1.0
|
|
CA
|
F:SER626
|
3.8
|
21.7
|
1.0
|
|
OG
|
F:SER626
|
3.8
|
23.5
|
1.0
|
|
CG2
|
F:THR604
|
3.9
|
26.9
|
1.0
|
|
CA
|
F:ALA605
|
4.0
|
22.0
|
1.0
|
|
CG2
|
F:VAL606
|
4.0
|
23.4
|
1.0
|
|
C
|
F:SER626
|
4.1
|
22.1
|
1.0
|
|
HG23
|
F:THR604
|
4.1
|
32.3
|
1.0
|
|
OD1
|
F:ASP627
|
4.1
|
37.7
|
1.0
|
|
H
|
F:LYS628
|
4.1
|
41.2
|
1.0
|
|
CB
|
F:ASP627
|
4.1
|
35.6
|
1.0
|
|
HG21
|
F:VAL606
|
4.2
|
28.1
|
1.0
|
|
N
|
F:ALA605
|
4.2
|
22.2
|
1.0
|
|
C
|
F:ALA605
|
4.2
|
21.1
|
1.0
|
|
CA
|
F:ASP627
|
4.3
|
32.2
|
1.0
|
|
HG21
|
F:THR604
|
4.3
|
32.3
|
1.0
|
|
CB
|
F:SER626
|
4.3
|
22.6
|
1.0
|
|
HG22
|
F:VAL606
|
4.4
|
28.1
|
1.0
|
|
C
|
F:THR604
|
4.4
|
23.9
|
1.0
|
|
HG
|
F:SER626
|
4.5
|
28.2
|
1.0
|
|
O
|
F:THR604
|
4.5
|
24.9
|
1.0
|
|
HB2
|
F:SER626
|
4.5
|
27.1
|
1.0
|
|
H
|
F:ALA605
|
4.6
|
26.7
|
1.0
|
|
O
|
F:LYS625
|
4.6
|
21.4
|
1.0
|
|
CG
|
F:ASP627
|
4.6
|
36.9
|
1.0
|
|
N
|
F:VAL606
|
4.6
|
20.1
|
1.0
|
|
N
|
F:LYS628
|
4.6
|
34.3
|
1.0
|
|
O
|
F:ALA605
|
4.6
|
23.0
|
1.0
|
|
H
|
F:VAL606
|
4.7
|
24.1
|
1.0
|
|
HB3
|
F:LYS628
|
4.8
|
45.6
|
1.0
|
|
C
|
F:ASP627
|
4.9
|
34.7
|
1.0
|
|
N
|
F:SER626
|
4.9
|
19.2
|
1.0
|
|
HB3
|
F:ASP627
|
4.9
|
42.8
|
1.0
|
|
HB2
|
F:LYS628
|
5.0
|
45.6
|
1.0
|
|
Reference:
J.Weikum,
A.Kulakova,
G.Tesei,
S.Yoshimoto,
L.V.Jaegerum,
M.Schutz,
K.Hori,
M.Skepo,
P.Harris,
J.C.Leo,
J.P.Morth.
The Extracellular Juncture Domains in the Intimin Passenger Adopt A Constitutively Extended Conformation Inducing Restraints to Its Sphere of Action. Sci Rep V. 10 21249 2020.
ISSN: ESSN 2045-2322
PubMed: 33277518
DOI: 10.1038/S41598-020-77706-7
Page generated: Sun Jan 24 08:33:01 2021
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