Xenon in PDB 5nsw: Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Protein crystallography data
The structure of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn., PDB code: 5nsw
was solved by
G.Phan,
T.Prange,
Y.V.Enguene Ntsogo,
C.Garnier,
A.Ducruix,
I.Broutin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.42 /
2.50
|
Space group
|
I 4
|
Cell size a, b, c (Å), α, β, γ (°)
|
256.412,
256.412,
81.395,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.1 /
23.9
|
Other elements in 5nsw:
The structure of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. also contains other interesting chemical elements:
Xenon Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
17;
Binding sites:
The binding sites of Xenon atom in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
(pdb code 5nsw). This binding sites where shown within
5.0 Angstroms radius around Xenon atom.
In total 17 binding sites of Xenon where determined in the
Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn., PDB code: 5nsw:
Jump to Xenon binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Xenon binding site 1 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 1 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 1 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Xe503
b:55.4
occ:1.00
|
OD1
|
A:ASP409
|
3.6
|
28.1
|
1.0
|
OD1
|
C:ASP409
|
3.7
|
24.3
|
1.0
|
NH1
|
A:ARG412
|
3.8
|
41.5
|
1.0
|
OD1
|
B:ASP409
|
3.8
|
25.0
|
1.0
|
CD1
|
C:LEU405
|
3.9
|
31.3
|
1.0
|
CD1
|
A:LEU405
|
3.9
|
32.3
|
1.0
|
CD2
|
B:LEU405
|
4.0
|
35.2
|
1.0
|
CD2
|
C:LEU405
|
4.0
|
29.3
|
1.0
|
CD1
|
B:LEU405
|
4.0
|
28.1
|
1.0
|
CD2
|
A:LEU405
|
4.0
|
36.6
|
1.0
|
CG
|
C:LEU405
|
4.1
|
31.2
|
1.0
|
CG
|
A:LEU405
|
4.1
|
32.5
|
1.0
|
NH1
|
B:ARG412
|
4.1
|
37.4
|
1.0
|
NH1
|
C:ARG412
|
4.1
|
33.8
|
1.0
|
CG
|
A:ASP409
|
4.1
|
31.3
|
1.0
|
CG
|
B:LEU405
|
4.1
|
30.0
|
1.0
|
CG
|
C:ASP409
|
4.1
|
32.0
|
1.0
|
CB
|
A:ASP409
|
4.2
|
32.7
|
1.0
|
CG
|
B:ASP409
|
4.3
|
31.6
|
1.0
|
CB
|
C:ASP409
|
4.3
|
30.7
|
1.0
|
CB
|
B:ASP409
|
4.4
|
31.8
|
1.0
|
CZ
|
A:ARG412
|
4.9
|
39.3
|
1.0
|
OD2
|
C:ASP409
|
4.9
|
32.7
|
1.0
|
OD2
|
A:ASP409
|
5.0
|
32.0
|
1.0
|
|
Xenon binding site 2 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 2 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 2 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Xe504
b:67.2
occ:0.30
|
OE1
|
A:GLU411
|
3.1
|
46.1
|
1.0
|
O
|
A:GLN177
|
3.7
|
37.2
|
1.0
|
O
|
A:ALA201
|
3.8
|
33.5
|
1.0
|
CA
|
A:ALA201
|
3.8
|
33.7
|
1.0
|
CB
|
A:ALA201
|
3.9
|
29.2
|
1.0
|
CB
|
A:SER180
|
3.9
|
44.5
|
1.0
|
CB
|
A:GLN177
|
3.9
|
30.5
|
1.0
|
CG
|
A:GLN177
|
4.0
|
32.9
|
1.0
|
CA
|
A:GLN177
|
4.0
|
33.8
|
1.0
|
CG
|
A:ARG204
|
4.1
|
50.6
|
1.0
|
CZ
|
A:PHE404
|
4.2
|
32.6
|
1.0
|
CD
|
A:GLU411
|
4.3
|
47.6
|
1.0
|
C
|
A:GLN177
|
4.3
|
37.0
|
1.0
|
C
|
A:ALA201
|
4.3
|
34.4
|
1.0
|
CB
|
A:ARG204
|
4.4
|
37.8
|
1.0
|
N
|
A:ARG181
|
4.5
|
37.4
|
1.0
|
OG
|
A:SER180
|
4.7
|
49.5
|
1.0
|
CD1
|
A:LEU408
|
4.8
|
41.8
|
1.0
|
CD
|
A:GLN177
|
4.8
|
36.6
|
1.0
|
OE2
|
A:GLU411
|
4.8
|
42.2
|
1.0
|
OE1
|
A:GLN177
|
4.9
|
45.6
|
1.0
|
CE1
|
A:PHE404
|
4.9
|
30.4
|
1.0
|
N
|
A:LEU205
|
4.9
|
28.5
|
1.0
|
C
|
A:SER180
|
4.9
|
39.3
|
1.0
|
|
Xenon binding site 3 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 3 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 3 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Xe505
b:63.7
occ:0.45
|
O
|
C:HOH683
|
3.3
|
33.0
|
1.0
|
OE1
|
A:GLN214
|
3.5
|
63.0
|
1.0
|
CA
|
A:GLN214
|
3.7
|
34.0
|
1.0
|
CG
|
C:ARG372
|
3.7
|
30.8
|
1.0
|
C
|
C:LYS371
|
3.8
|
26.7
|
1.0
|
N
|
C:ARG372
|
3.8
|
26.5
|
1.0
|
CB
|
C:LYS371
|
3.8
|
29.9
|
1.0
|
O
|
C:LYS371
|
3.8
|
31.5
|
1.0
|
N
|
A:GLN214
|
3.9
|
28.9
|
1.0
|
O
|
A:PRO213
|
3.9
|
21.4
|
1.0
|
CA
|
C:ARG372
|
3.9
|
32.2
|
1.0
|
C
|
A:PRO213
|
4.1
|
25.1
|
1.0
|
CD
|
C:ARG375
|
4.1
|
38.9
|
1.0
|
CD
|
A:GLN214
|
4.2
|
58.8
|
1.0
|
CB
|
A:ALA217
|
4.2
|
26.6
|
1.0
|
CB
|
A:GLN214
|
4.3
|
35.5
|
1.0
|
CB
|
C:ARG375
|
4.4
|
34.0
|
1.0
|
CB
|
C:ARG372
|
4.4
|
31.8
|
1.0
|
CA
|
C:LYS371
|
4.5
|
28.3
|
1.0
|
CG
|
A:GLN214
|
4.7
|
41.5
|
1.0
|
O
|
C:ASP368
|
4.7
|
36.9
|
1.0
|
NE
|
C:ARG372
|
4.7
|
38.8
|
1.0
|
CB
|
A:PRO213
|
4.8
|
26.4
|
1.0
|
C
|
A:GLN214
|
4.8
|
28.9
|
1.0
|
CD
|
C:ARG372
|
4.8
|
35.9
|
1.0
|
CG
|
C:ARG375
|
4.8
|
37.0
|
1.0
|
O
|
A:GLN214
|
4.9
|
27.7
|
1.0
|
NE
|
C:ARG375
|
4.9
|
34.6
|
1.0
|
|
Xenon binding site 4 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 4 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 4 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Xe506
b:60.7
occ:0.35
|
OG
|
A:SER84
|
3.6
|
34.9
|
1.0
|
O
|
C:ILE323
|
4.1
|
44.7
|
1.0
|
N
|
A:ARG85
|
4.1
|
36.7
|
1.0
|
CA
|
A:ARG85
|
4.1
|
35.8
|
1.0
|
CG1
|
C:ILE323
|
4.3
|
51.2
|
1.0
|
N
|
A:ALA86
|
4.3
|
48.6
|
1.0
|
C
|
A:SER84
|
4.3
|
41.4
|
1.0
|
CB
|
A:SER84
|
4.3
|
38.1
|
1.0
|
C
|
A:ARG85
|
4.4
|
46.5
|
1.0
|
O
|
A:SER84
|
4.5
|
44.4
|
1.0
|
CB
|
C:TRP325
|
4.6
|
39.4
|
1.0
|
CB
|
A:ALA86
|
4.6
|
36.4
|
1.0
|
C
|
C:ILE323
|
4.6
|
47.0
|
1.0
|
N
|
C:TRP325
|
4.8
|
40.2
|
1.0
|
CD1
|
C:ILE323
|
4.8
|
49.4
|
1.0
|
C
|
C:SER324
|
4.8
|
43.8
|
1.0
|
CA
|
C:SER324
|
4.8
|
45.0
|
1.0
|
CA
|
A:SER84
|
5.0
|
38.9
|
1.0
|
|
Xenon binding site 5 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 5 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 5 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Xe507
b:57.6
occ:0.20
|
CB
|
A:SER114
|
4.1
|
46.0
|
1.0
|
CB
|
A:LEU299
|
4.1
|
39.0
|
1.0
|
OG
|
A:SER114
|
4.6
|
48.2
|
1.0
|
N
|
A:LEU299
|
4.7
|
37.5
|
1.0
|
CB
|
A:LEU112
|
4.8
|
35.4
|
1.0
|
C
|
A:PHE298
|
4.9
|
38.1
|
1.0
|
O
|
A:LEU112
|
4.9
|
46.2
|
1.0
|
C
|
A:GLY297
|
4.9
|
49.1
|
1.0
|
N
|
A:PHE298
|
5.0
|
44.1
|
1.0
|
CD2
|
A:LEU299
|
5.0
|
38.7
|
1.0
|
|
Xenon binding site 6 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 6 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 6 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Xe508
b:65.1
occ:0.35
|
O
|
A:HOH654
|
3.4
|
39.0
|
1.0
|
CA
|
B:GLN214
|
3.6
|
31.2
|
1.0
|
CG
|
A:ARG372
|
3.6
|
33.2
|
1.0
|
N
|
B:GLN214
|
4.0
|
27.8
|
1.0
|
CD
|
A:ARG375
|
4.0
|
44.1
|
1.0
|
N
|
A:ARG372
|
4.0
|
32.0
|
1.0
|
O
|
B:PRO213
|
4.1
|
30.5
|
1.0
|
CB
|
B:GLN214
|
4.1
|
34.0
|
1.0
|
CA
|
A:ARG372
|
4.1
|
34.2
|
1.0
|
CG
|
B:GLN214
|
4.1
|
46.8
|
1.0
|
C
|
A:LYS371
|
4.1
|
36.4
|
1.0
|
O
|
A:LYS371
|
4.2
|
42.7
|
1.0
|
C
|
B:PRO213
|
4.2
|
27.6
|
1.0
|
CB
|
A:LYS371
|
4.2
|
41.9
|
1.0
|
CB
|
B:ALA217
|
4.3
|
28.3
|
1.0
|
CB
|
A:ARG375
|
4.4
|
34.7
|
1.0
|
CB
|
A:ARG372
|
4.5
|
34.4
|
1.0
|
NE
|
A:ARG372
|
4.6
|
39.8
|
1.0
|
OE1
|
B:GLN214
|
4.7
|
80.1
|
1.0
|
C
|
B:GLN214
|
4.7
|
28.6
|
1.0
|
CD
|
A:ARG372
|
4.7
|
39.2
|
1.0
|
NE
|
A:ARG375
|
4.8
|
48.7
|
1.0
|
CG
|
A:ARG375
|
4.8
|
37.7
|
1.0
|
O
|
B:GLN214
|
4.8
|
25.1
|
1.0
|
CD
|
B:GLN214
|
4.8
|
64.4
|
1.0
|
CA
|
A:LYS371
|
4.9
|
37.1
|
1.0
|
O
|
A:ASP368
|
4.9
|
34.1
|
1.0
|
|
Xenon binding site 7 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 7 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 7 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Xe501
b:73.5
occ:0.45
|
O
|
B:ASP109
|
3.7
|
41.8
|
1.0
|
CB
|
B:ALA86
|
4.0
|
40.9
|
1.0
|
CB
|
B:LEU110
|
4.1
|
48.1
|
1.0
|
CG2
|
B:ILE309
|
4.3
|
65.7
|
1.0
|
O
|
B:SER87
|
4.3
|
51.4
|
1.0
|
CA
|
B:ALA86
|
4.3
|
40.2
|
1.0
|
N
|
B:SER87
|
4.4
|
36.1
|
1.0
|
C
|
B:ASP109
|
4.4
|
43.7
|
1.0
|
CG1
|
B:ILE309
|
4.5
|
61.0
|
1.0
|
C
|
B:ALA86
|
4.6
|
46.8
|
1.0
|
XE
|
B:XE502
|
4.6
|
60.2
|
0.3
|
CD2
|
B:TYR108
|
4.6
|
56.1
|
1.0
|
CD1
|
B:LEU110
|
4.7
|
54.0
|
1.0
|
CB
|
B:TYR108
|
4.7
|
49.4
|
1.0
|
N
|
B:ASP109
|
4.8
|
42.5
|
1.0
|
CA
|
B:LEU110
|
4.8
|
43.6
|
1.0
|
N
|
B:LEU110
|
4.8
|
41.9
|
1.0
|
CG
|
B:LEU110
|
4.9
|
51.1
|
1.0
|
CB
|
B:ILE309
|
4.9
|
60.1
|
1.0
|
|
Xenon binding site 8 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 8 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 8 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Xe502
b:60.2
occ:0.35
|
O
|
B:ALA86
|
3.6
|
46.9
|
1.0
|
C
|
B:ALA86
|
3.9
|
46.8
|
1.0
|
CA
|
B:SER87
|
4.2
|
38.8
|
1.0
|
N
|
B:SER87
|
4.2
|
36.1
|
1.0
|
O
|
A:PRO321
|
4.3
|
44.4
|
1.0
|
CB
|
B:ALA86
|
4.3
|
40.9
|
1.0
|
CG1
|
A:ILE323
|
4.4
|
49.9
|
1.0
|
CD1
|
A:ILE323
|
4.4
|
51.8
|
1.0
|
C
|
B:SER87
|
4.5
|
43.4
|
1.0
|
CB
|
A:PRO321
|
4.5
|
50.7
|
1.0
|
C
|
A:PRO321
|
4.5
|
46.2
|
1.0
|
XE
|
B:XE501
|
4.6
|
73.5
|
0.5
|
CG
|
A:PRO321
|
4.6
|
58.8
|
1.0
|
N
|
B:ALA88
|
4.7
|
43.3
|
1.0
|
N
|
A:SER322
|
4.7
|
42.9
|
1.0
|
CA
|
B:ALA86
|
4.8
|
40.2
|
1.0
|
N
|
A:ILE323
|
4.8
|
41.7
|
1.0
|
CA
|
A:SER322
|
4.9
|
48.2
|
1.0
|
O
|
B:SER87
|
4.9
|
51.4
|
1.0
|
CB
|
B:ALA88
|
5.0
|
43.1
|
1.0
|
|
Xenon binding site 9 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 9 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 9 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Xe503
b:67.3
occ:0.35
|
OG
|
B:SER84
|
3.8
|
42.6
|
1.0
|
O
|
A:ILE323
|
4.2
|
38.0
|
1.0
|
N
|
B:ARG85
|
4.3
|
40.8
|
1.0
|
N
|
B:ALA86
|
4.4
|
40.8
|
1.0
|
C
|
B:ARG85
|
4.4
|
45.3
|
1.0
|
CB
|
B:SER84
|
4.4
|
34.5
|
1.0
|
CB
|
A:TRP325
|
4.5
|
37.2
|
1.0
|
CG2
|
A:ILE323
|
4.5
|
51.8
|
1.0
|
C
|
B:SER84
|
4.5
|
42.6
|
1.0
|
CA
|
B:ARG85
|
4.5
|
42.4
|
1.0
|
CB
|
B:ALA86
|
4.6
|
40.9
|
1.0
|
O
|
B:SER84
|
4.7
|
39.2
|
1.0
|
C
|
A:ILE323
|
4.8
|
42.4
|
1.0
|
N
|
A:TRP325
|
4.9
|
36.5
|
1.0
|
O
|
B:ARG85
|
4.9
|
41.6
|
1.0
|
CB
|
A:ILE323
|
4.9
|
45.4
|
1.0
|
C
|
A:SER324
|
5.0
|
40.6
|
1.0
|
|
Xenon binding site 10 out
of 17 in 5nsw
Go back to
Xenon Binding Sites List in 5nsw
Xenon binding site 10 out
of 17 in the Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn.
Mono view
Stereo pair view
|
A full contact list of Xenon with other atoms in the Xe binding
site number 10 of Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Xe506
b:63.8
occ:0.30
|
OE1
|
B:GLU411
|
3.2
|
46.8
|
1.0
|
O
|
B:GLN177
|
3.5
|
31.2
|
1.0
|
O
|
B:ALA201
|
3.6
|
30.3
|
1.0
|
CA
|
B:ALA201
|
3.7
|
37.0
|
1.0
|
CB
|
B:ALA201
|
3.8
|
34.6
|
1.0
|
CB
|
B:GLN177
|
3.8
|
32.9
|
1.0
|
CB
|
B:SER180
|
3.9
|
41.9
|
1.0
|
CA
|
B:GLN177
|
4.0
|
28.4
|
1.0
|
CG
|
B:ARG204
|
4.0
|
46.1
|
1.0
|
CG
|
B:GLN177
|
4.1
|
35.3
|
1.0
|
C
|
B:ALA201
|
4.1
|
34.0
|
1.0
|
C
|
B:GLN177
|
4.2
|
29.1
|
1.0
|
CB
|
B:ARG204
|
4.2
|
39.8
|
1.0
|
CD
|
B:GLU411
|
4.2
|
44.2
|
1.0
|
N
|
B:ARG181
|
4.5
|
30.7
|
1.0
|
CZ
|
B:PHE404
|
4.5
|
31.8
|
1.0
|
OE2
|
B:GLU411
|
4.6
|
45.5
|
1.0
|
N
|
B:LEU205
|
4.6
|
30.1
|
1.0
|
OE1
|
B:GLN177
|
4.7
|
29.5
|
1.0
|
OG
|
B:SER180
|
4.7
|
49.7
|
1.0
|
CD
|
B:GLN177
|
4.8
|
30.3
|
1.0
|
CD1
|
B:LEU408
|
4.8
|
29.1
|
1.0
|
C
|
B:SER180
|
4.9
|
27.3
|
1.0
|
|
Reference:
Y.V.Ntsogo Enguene,
G.Phan,
C.Garnier,
A.Ducruix,
T.Prange,
I.Broutin.
Xenon For Tunnelling Analysis of the Efflux Pump Component Oprn. Plos One V. 12 84045 2017.
ISSN: ESSN 1932-6203
PubMed: 28886086
DOI: 10.1371/JOURNAL.PONE.0184045
Page generated: Sat Oct 12 19:43:25 2024
|