Sodium in PDB 5fq7: Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
Protein crystallography data
The structure of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron, PDB code: 5fq7
was solved by
A.J.Glenwright,
K.R.Pothula,
D.S.Chorev,
A.Basle,
C.V.Robinson,
U.Kleinekathoefer,
D.N.Bolam,
B.Van Den Berg,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.43 /
3.40
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
123.591,
180.159,
245.747,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.1 /
25.5
|
Other elements in 5fq7:
The structure of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
(pdb code 5fq7). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the
Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron, PDB code: 5fq7:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
Sodium binding site 1 out
of 6 in 5fq7
Go back to
Sodium Binding Sites List in 5fq7
Sodium binding site 1 out
of 6 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na1986
b:27.6
occ:1.00
|
OD2
|
A:ASP231
|
3.5
|
66.1
|
1.0
|
OE2
|
B:GLU493
|
3.6
|
54.4
|
1.0
|
OE1
|
B:GLU493
|
3.8
|
54.3
|
1.0
|
CD
|
B:GLU493
|
4.1
|
54.4
|
1.0
|
CD1
|
B:ILE513
|
4.2
|
60.7
|
1.0
|
OD1
|
A:ASP231
|
4.3
|
66.0
|
1.0
|
CG
|
A:ASP231
|
4.3
|
64.8
|
1.0
|
|
Sodium binding site 2 out
of 6 in 5fq7
Go back to
Sodium Binding Sites List in 5fq7
Sodium binding site 2 out
of 6 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na1987
b:30.1
occ:1.00
|
O
|
B:ILE283
|
2.2
|
71.6
|
1.0
|
OD1
|
B:ASP280
|
2.2
|
65.4
|
1.0
|
O
|
B:GLY281
|
2.3
|
70.7
|
1.0
|
O
|
B:THR285
|
2.4
|
69.4
|
1.0
|
OD1
|
B:ASP288
|
2.6
|
72.7
|
1.0
|
OD2
|
B:ASP288
|
2.8
|
78.3
|
1.0
|
CG
|
B:ASP288
|
3.1
|
73.0
|
1.0
|
CG
|
B:ASP280
|
3.4
|
65.7
|
1.0
|
C
|
B:ILE283
|
3.4
|
64.7
|
1.0
|
C
|
B:GLY281
|
3.5
|
70.5
|
1.0
|
C
|
B:THR285
|
3.5
|
70.3
|
1.0
|
N
|
B:THR285
|
3.9
|
72.7
|
1.0
|
C
|
B:PRO284
|
3.9
|
71.9
|
1.0
|
OD2
|
B:ASP280
|
4.0
|
65.8
|
1.0
|
N
|
B:GLY281
|
4.0
|
73.5
|
1.0
|
O
|
B:ASP280
|
4.0
|
80.3
|
1.0
|
C
|
B:ASP280
|
4.0
|
74.2
|
1.0
|
N
|
B:ILE283
|
4.1
|
65.0
|
1.0
|
CA
|
B:PRO284
|
4.2
|
68.1
|
1.0
|
O
|
B:PRO284
|
4.3
|
75.0
|
1.0
|
N
|
B:PRO284
|
4.3
|
65.6
|
1.0
|
CA
|
B:THR285
|
4.3
|
69.3
|
1.0
|
CA
|
B:ILE283
|
4.3
|
64.5
|
1.0
|
CA
|
B:GLY281
|
4.3
|
71.9
|
1.0
|
C
|
B:MET282
|
4.4
|
66.4
|
1.0
|
N
|
B:MET282
|
4.5
|
69.7
|
1.0
|
N
|
B:ASP286
|
4.5
|
70.9
|
1.0
|
CB
|
B:ASP280
|
4.6
|
66.2
|
1.0
|
CB
|
B:ASP288
|
4.6
|
71.3
|
1.0
|
CA
|
B:MET282
|
4.7
|
69.6
|
1.0
|
CA
|
B:ASP280
|
4.7
|
65.8
|
1.0
|
CB
|
B:ILE283
|
4.8
|
63.5
|
1.0
|
N
|
B:ASP288
|
4.9
|
68.7
|
1.0
|
CA
|
B:ASP286
|
4.9
|
71.0
|
1.0
|
O
|
B:MET282
|
4.9
|
68.5
|
1.0
|
N
|
B:ALA287
|
5.0
|
67.9
|
1.0
|
|
Sodium binding site 3 out
of 6 in 5fq7
Go back to
Sodium Binding Sites List in 5fq7
Sodium binding site 3 out
of 6 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na1988
b:43.5
occ:1.00
|
OD1
|
B:ASP850
|
2.4
|
88.0
|
1.0
|
CG
|
B:ASP850
|
3.0
|
86.9
|
1.0
|
OD2
|
B:ASP850
|
3.0
|
87.6
|
1.0
|
OE1
|
F:GLU13
|
3.8
|
0.4
|
1.0
|
O
|
B:ALA847
|
4.0
|
82.9
|
1.0
|
NZ
|
F:LYS14
|
4.2
|
88.3
|
1.0
|
OE2
|
F:GLU13
|
4.2
|
0.3
|
1.0
|
O
|
B:TYR848
|
4.3
|
90.7
|
1.0
|
CD
|
F:GLU13
|
4.3
|
0.7
|
1.0
|
CB
|
B:ASP850
|
4.3
|
84.9
|
1.0
|
CG
|
F:PRO7
|
4.3
|
99.3
|
1.0
|
O
|
F:GLY8
|
4.4
|
91.5
|
1.0
|
N
|
B:ASP850
|
4.5
|
83.0
|
1.0
|
CA
|
B:ASP850
|
4.5
|
82.5
|
1.0
|
CE
|
F:LYS14
|
4.6
|
90.4
|
1.0
|
OE2
|
B:GLU197
|
4.6
|
82.9
|
1.0
|
OE1
|
B:GLU197
|
4.7
|
78.2
|
1.0
|
CD
|
F:PRO7
|
4.8
|
99.5
|
1.0
|
CB
|
F:PRO7
|
4.8
|
96.2
|
1.0
|
|
Sodium binding site 4 out
of 6 in 5fq7
Go back to
Sodium Binding Sites List in 5fq7
Sodium binding site 4 out
of 6 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na1481
b:44.4
occ:1.00
|
OD1
|
C:ASP478
|
2.1
|
83.4
|
1.0
|
O
|
C:ARG408
|
2.2
|
78.3
|
1.0
|
OD2
|
C:ASP411
|
2.3
|
76.0
|
1.0
|
OD1
|
C:ASP411
|
2.4
|
75.3
|
1.0
|
OXT
|
C:LYS480
|
2.4
|
82.8
|
1.0
|
CG
|
C:ASP411
|
2.6
|
75.6
|
1.0
|
CG
|
C:ASP478
|
3.1
|
77.2
|
1.0
|
C
|
C:LYS480
|
3.2
|
82.2
|
1.0
|
C
|
C:ARG408
|
3.5
|
74.4
|
1.0
|
OD2
|
C:ASP478
|
3.6
|
73.8
|
1.0
|
O
|
C:ARG409
|
3.6
|
79.4
|
1.0
|
N
|
C:LYS480
|
3.8
|
79.9
|
1.0
|
O
|
C:LYS480
|
3.8
|
83.2
|
1.0
|
CB
|
C:ASP411
|
4.0
|
75.3
|
1.0
|
CA
|
C:LYS480
|
4.0
|
81.1
|
1.0
|
CA
|
C:ARG408
|
4.2
|
72.1
|
1.0
|
CB
|
C:ASP478
|
4.3
|
73.7
|
1.0
|
CG
|
C:LYS480
|
4.3
|
84.6
|
1.0
|
C
|
C:ARG409
|
4.3
|
74.5
|
1.0
|
CA
|
C:ASP478
|
4.4
|
72.7
|
1.0
|
N
|
C:ARG409
|
4.4
|
72.2
|
1.0
|
N
|
C:ILE479
|
4.5
|
76.5
|
1.0
|
CA
|
C:ARG409
|
4.5
|
72.5
|
1.0
|
N
|
C:ASP411
|
4.6
|
77.9
|
1.0
|
CA
|
C:ASP411
|
4.6
|
76.2
|
1.0
|
C
|
C:ASP478
|
4.7
|
76.7
|
1.0
|
CB
|
C:LYS480
|
4.7
|
82.8
|
1.0
|
CB
|
C:ARG408
|
4.9
|
73.0
|
1.0
|
O
|
C:ILE407
|
4.9
|
72.4
|
1.0
|
C
|
C:ILE479
|
4.9
|
81.4
|
1.0
|
|
Sodium binding site 5 out
of 6 in 5fq7
Go back to
Sodium Binding Sites List in 5fq7
Sodium binding site 5 out
of 6 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na1986
b:35.4
occ:1.00
|
OD1
|
D:ASP850
|
2.2
|
82.4
|
1.0
|
CG
|
D:ASP850
|
3.0
|
81.5
|
1.0
|
OD2
|
D:ASP850
|
3.2
|
80.7
|
1.0
|
OE2
|
E:GLU13
|
4.0
|
94.8
|
1.0
|
OE1
|
E:GLU13
|
4.2
|
90.8
|
1.0
|
CB
|
D:ASP850
|
4.3
|
78.3
|
1.0
|
O
|
E:GLY8
|
4.4
|
88.9
|
1.0
|
CD
|
E:GLU13
|
4.4
|
91.6
|
1.0
|
O
|
D:ALA847
|
4.5
|
70.3
|
1.0
|
OE1
|
D:GLU197
|
4.5
|
86.8
|
1.0
|
OE2
|
D:GLU197
|
4.5
|
85.2
|
1.0
|
N
|
D:ASP850
|
4.5
|
76.1
|
1.0
|
CA
|
D:ASP850
|
4.6
|
76.5
|
1.0
|
CG
|
E:PRO7
|
4.8
|
99.0
|
1.0
|
CD
|
D:GLU197
|
4.8
|
84.3
|
1.0
|
O
|
D:TYR848
|
5.0
|
92.3
|
1.0
|
|
Sodium binding site 6 out
of 6 in 5fq7
Go back to
Sodium Binding Sites List in 5fq7
Sodium binding site 6 out
of 6 in the Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Crystal Structure of the Suscd Complex BT2261-2264 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na1987
b:34.7
occ:1.00
|
OD1
|
D:ASP280
|
2.2
|
71.8
|
1.0
|
O
|
D:GLY281
|
2.2
|
74.8
|
1.0
|
O
|
D:ILE283
|
2.3
|
66.0
|
1.0
|
OD1
|
D:ASP288
|
2.4
|
75.2
|
1.0
|
O
|
D:THR285
|
2.4
|
68.4
|
1.0
|
OD2
|
D:ASP288
|
2.6
|
75.5
|
1.0
|
CG
|
D:ASP288
|
2.8
|
74.9
|
1.0
|
C
|
D:GLY281
|
3.4
|
76.2
|
1.0
|
CG
|
D:ASP280
|
3.4
|
70.6
|
1.0
|
C
|
D:ILE283
|
3.5
|
65.2
|
1.0
|
C
|
D:THR285
|
3.6
|
67.9
|
1.0
|
C
|
D:ASP280
|
3.8
|
72.7
|
1.0
|
N
|
D:GLY281
|
3.8
|
74.8
|
1.0
|
O
|
D:ASP280
|
3.9
|
76.7
|
1.0
|
OD2
|
D:ASP280
|
4.1
|
71.8
|
1.0
|
CA
|
D:GLY281
|
4.1
|
78.1
|
1.0
|
C
|
D:PRO284
|
4.1
|
70.1
|
1.0
|
N
|
D:THR285
|
4.2
|
69.4
|
1.0
|
N
|
D:ILE283
|
4.2
|
70.6
|
1.0
|
CA
|
D:PRO284
|
4.3
|
68.0
|
1.0
|
CB
|
D:ASP288
|
4.4
|
74.5
|
1.0
|
N
|
D:PRO284
|
4.4
|
65.3
|
1.0
|
CA
|
D:ILE283
|
4.4
|
65.3
|
1.0
|
O
|
D:PRO284
|
4.4
|
72.9
|
1.0
|
N
|
D:MET282
|
4.4
|
75.3
|
1.0
|
C
|
D:MET282
|
4.5
|
75.4
|
1.0
|
CA
|
D:ASP280
|
4.5
|
70.7
|
1.0
|
CB
|
D:ASP280
|
4.5
|
69.2
|
1.0
|
CA
|
D:THR285
|
4.6
|
68.3
|
1.0
|
N
|
D:ASP286
|
4.6
|
71.0
|
1.0
|
N
|
D:ASP288
|
4.6
|
69.8
|
1.0
|
CA
|
D:ASP286
|
4.7
|
72.6
|
1.0
|
CA
|
D:MET282
|
4.8
|
75.9
|
1.0
|
CB
|
D:ILE283
|
4.8
|
63.1
|
1.0
|
N
|
D:ALA287
|
4.8
|
62.2
|
1.0
|
O
|
D:ASP288
|
4.9
|
86.8
|
1.0
|
C
|
D:ASP286
|
5.0
|
69.9
|
1.0
|
|
Reference:
A.J.Glenwright,
K.R.Pothula,
S.P.Bhamidimarri,
D.S.Chorev,
A.Basle,
S.J.Firbank,
H.Zheng,
C.V.Robinson,
M.Winterhalter,
U.Kleinekathofer,
D.N.Bolam,
B.Van Den Berg.
Structural Basis For Nutrient Acquisition By Dominant Members of the Human Gut Microbiota. Nature V. 541 407 2017.
ISSN: ESSN 1476-4687
PubMed: 28077872
DOI: 10.1038/NATURE20828
Page generated: Mon Oct 7 21:04:52 2024
|