Sodium in PDB 6baq: Mus Musculus BPIFA1
Protein crystallography data
The structure of Mus Musculus BPIFA1, PDB code: 6baq
was solved by
M.S.Little,
M.R.Redinbo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.79 /
2.50
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
132.200,
200.582,
89.499,
90.00,
126.15,
90.00
|
R / Rfree (%)
|
22.1 /
27.8
|
Other elements in 6baq:
The structure of Mus Musculus BPIFA1 also contains other interesting chemical elements:
Sodium Binding Sites:
Sodium binding site 1 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 1 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na301
b:49.5
occ:1.00
|
OG1
|
A:THR205
|
2.2
|
29.2
|
1.0
|
OG1
|
B:THR205
|
2.5
|
30.7
|
1.0
|
CG2
|
A:THR205
|
2.7
|
26.7
|
1.0
|
O
|
B:HIS206
|
2.8
|
35.1
|
1.0
|
O
|
A:HIS206
|
2.9
|
27.9
|
1.0
|
CB
|
A:THR205
|
3.0
|
31.0
|
1.0
|
CG2
|
B:THR205
|
3.3
|
21.6
|
1.0
|
CB
|
B:THR205
|
3.4
|
28.9
|
1.0
|
O
|
A:HOH402
|
3.6
|
37.3
|
1.0
|
N
|
A:HIS206
|
3.8
|
25.7
|
1.0
|
ND1
|
B:HIS206
|
3.8
|
30.7
|
1.0
|
CE1
|
B:HIS206
|
3.8
|
32.8
|
1.0
|
N
|
B:HIS206
|
3.9
|
29.5
|
1.0
|
C
|
B:HIS206
|
4.0
|
31.6
|
1.0
|
C
|
A:HIS206
|
4.0
|
24.4
|
1.0
|
C
|
A:THR205
|
4.0
|
27.2
|
1.0
|
CA
|
A:THR205
|
4.1
|
29.4
|
1.0
|
ND1
|
A:HIS206
|
4.1
|
29.0
|
1.0
|
CG
|
B:HIS206
|
4.3
|
33.2
|
1.0
|
CE1
|
A:HIS206
|
4.3
|
29.9
|
1.0
|
C
|
B:THR205
|
4.3
|
27.9
|
1.0
|
NE2
|
B:HIS206
|
4.3
|
25.7
|
1.0
|
CA
|
A:HIS206
|
4.4
|
25.0
|
1.0
|
CA
|
B:THR205
|
4.4
|
26.8
|
1.0
|
CA
|
B:HIS206
|
4.5
|
27.1
|
1.0
|
CG
|
A:HIS206
|
4.5
|
32.6
|
1.0
|
O
|
A:HOH428
|
4.6
|
33.5
|
0.9
|
CD2
|
B:HIS206
|
4.6
|
32.6
|
1.0
|
OE1
|
B:GLN242
|
4.6
|
34.3
|
1.0
|
O
|
A:THR205
|
4.7
|
22.9
|
1.0
|
NE2
|
A:HIS206
|
4.8
|
29.8
|
1.0
|
CD
|
B:PRO208
|
4.8
|
39.2
|
1.0
|
OE1
|
A:GLN242
|
4.8
|
36.3
|
1.0
|
CD2
|
A:HIS206
|
4.9
|
27.2
|
1.0
|
CD
|
A:PRO208
|
5.0
|
34.2
|
1.0
|
CB
|
B:HIS206
|
5.0
|
25.9
|
1.0
|
O
|
B:THR205
|
5.0
|
23.9
|
1.0
|
|
Sodium binding site 2 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 2 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na302
b:52.0
occ:1.00
|
OD1
|
A:ASP70
|
2.3
|
45.1
|
1.0
|
OG1
|
A:THR69
|
3.0
|
40.8
|
1.0
|
O
|
A:PHE274
|
3.0
|
36.1
|
1.0
|
N
|
A:ASP70
|
3.2
|
43.4
|
1.0
|
CA
|
A:ASP70
|
3.4
|
44.6
|
1.0
|
CG
|
A:ASP70
|
3.4
|
45.5
|
1.0
|
C
|
A:THR69
|
3.5
|
37.1
|
1.0
|
CA
|
A:PHE274
|
3.8
|
31.4
|
1.0
|
O
|
A:THR69
|
3.8
|
38.0
|
1.0
|
C
|
A:PHE274
|
3.8
|
33.5
|
1.0
|
CB
|
A:THR69
|
3.9
|
34.8
|
1.0
|
CB
|
A:ASP70
|
4.0
|
41.6
|
1.0
|
CB
|
A:PHE274
|
4.0
|
41.9
|
1.0
|
CD1
|
A:ILE276
|
4.1
|
53.1
|
1.0
|
ND2
|
A:ASN67
|
4.2
|
43.4
|
1.0
|
CA
|
A:THR69
|
4.3
|
34.3
|
1.0
|
OD2
|
A:ASP70
|
4.4
|
55.8
|
1.0
|
NA
|
A:NA310
|
4.5
|
44.5
|
1.0
|
CG1
|
A:ILE276
|
4.5
|
46.4
|
1.0
|
O
|
A:ASN67
|
4.5
|
46.5
|
1.0
|
CG
|
A:ASN67
|
4.6
|
48.1
|
1.0
|
C
|
A:ASP70
|
4.7
|
40.9
|
1.0
|
CB
|
A:ASN67
|
4.7
|
40.4
|
1.0
|
N
|
A:THR69
|
4.9
|
33.4
|
1.0
|
|
Sodium binding site 3 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 3 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na303
b:45.0
occ:1.00
|
OD1
|
A:ASP78
|
2.5
|
18.4
|
1.0
|
N
|
E:GLY91
|
3.1
|
18.9
|
1.0
|
O
|
A:HOH416
|
3.2
|
22.1
|
1.0
|
O
|
E:HOH425
|
3.2
|
18.4
|
1.0
|
CG
|
A:ASP78
|
3.5
|
24.1
|
1.0
|
OD2
|
A:ASP78
|
3.7
|
30.9
|
1.0
|
CB
|
E:LEU90
|
3.7
|
18.5
|
1.0
|
CA
|
E:GLY91
|
3.7
|
19.9
|
1.0
|
C
|
E:LEU90
|
3.9
|
20.5
|
1.0
|
CA
|
E:LEU90
|
4.1
|
21.4
|
1.0
|
N
|
E:LEU90
|
4.1
|
17.7
|
1.0
|
O
|
E:GLY88
|
4.3
|
26.0
|
1.0
|
CA
|
E:GLY88
|
4.3
|
18.9
|
1.0
|
C
|
E:GLY88
|
4.4
|
24.1
|
1.0
|
CG
|
E:LEU90
|
4.7
|
19.0
|
1.0
|
O
|
A:GLY74
|
4.9
|
23.8
|
1.0
|
CB
|
A:ASP78
|
4.9
|
17.6
|
1.0
|
O
|
E:LEU90
|
5.0
|
20.1
|
1.0
|
|
Sodium binding site 4 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 4 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na304
b:45.7
occ:1.00
|
CG1
|
A:VAL170
|
2.6
|
53.9
|
1.0
|
N
|
A:VAL170
|
2.6
|
43.0
|
1.0
|
CB
|
A:VAL170
|
3.0
|
46.6
|
1.0
|
N
|
A:PRO169
|
3.2
|
43.0
|
1.0
|
O
|
A:ASN129
|
3.2
|
47.4
|
1.0
|
CB
|
A:ASN129
|
3.3
|
51.8
|
1.0
|
CD
|
A:PRO169
|
3.3
|
46.3
|
1.0
|
CA
|
A:VAL170
|
3.4
|
46.5
|
1.0
|
C
|
A:MET168
|
3.5
|
43.1
|
1.0
|
C
|
A:PRO169
|
3.6
|
44.8
|
1.0
|
CG
|
A:MET168
|
3.7
|
41.8
|
1.0
|
CA
|
A:PRO169
|
3.8
|
45.7
|
1.0
|
ND2
|
A:ASN129
|
3.8
|
49.4
|
1.0
|
CG
|
A:ASN129
|
3.9
|
53.3
|
1.0
|
O
|
A:MET168
|
4.0
|
40.8
|
1.0
|
CA
|
A:MET168
|
4.0
|
42.2
|
1.0
|
CA
|
A:ASN129
|
4.0
|
44.8
|
1.0
|
C
|
A:ASN129
|
4.1
|
47.2
|
1.0
|
CB
|
A:PRO169
|
4.1
|
45.7
|
1.0
|
CG
|
A:PRO169
|
4.2
|
49.1
|
1.0
|
CB
|
A:MET168
|
4.4
|
40.5
|
1.0
|
C
|
A:VAL170
|
4.4
|
50.0
|
1.0
|
CG2
|
A:VAL170
|
4.5
|
50.8
|
1.0
|
N
|
A:VAL171
|
4.5
|
44.7
|
1.0
|
O
|
A:PRO169
|
4.8
|
40.6
|
1.0
|
OD1
|
A:ASN129
|
4.8
|
54.7
|
1.0
|
|
Sodium binding site 5 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 5 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na305
b:48.0
occ:1.00
|
O
|
A:SER210
|
2.8
|
31.0
|
1.0
|
C
|
A:SER210
|
3.7
|
30.9
|
1.0
|
CA
|
A:SER210
|
3.9
|
32.6
|
1.0
|
CB
|
A:SER210
|
3.9
|
25.4
|
1.0
|
CD
|
A:LYS212
|
4.0
|
42.5
|
1.0
|
CB
|
A:LYS180
|
4.1
|
26.1
|
1.0
|
O
|
A:HOH437
|
4.1
|
32.5
|
1.0
|
OD1
|
A:ASN182
|
4.3
|
28.8
|
1.0
|
ND2
|
A:ASN182
|
4.3
|
21.0
|
1.0
|
CG
|
A:ASN182
|
4.4
|
20.4
|
1.0
|
CE
|
A:LYS212
|
4.6
|
38.5
|
1.0
|
N
|
A:LEU181
|
4.6
|
25.8
|
1.0
|
C
|
A:LYS180
|
4.6
|
24.9
|
1.0
|
NZ
|
A:LYS212
|
4.6
|
61.6
|
1.0
|
OG
|
A:SER210
|
4.8
|
23.7
|
1.0
|
O
|
A:LYS180
|
4.8
|
28.2
|
1.0
|
CD
|
A:LYS180
|
4.9
|
36.9
|
1.0
|
CG
|
A:LYS212
|
4.9
|
35.4
|
1.0
|
CA
|
A:LEU181
|
4.9
|
24.7
|
1.0
|
N
|
A:LEU211
|
5.0
|
20.6
|
1.0
|
CA
|
A:LYS180
|
5.0
|
27.8
|
1.0
|
|
Sodium binding site 6 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 6 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na306
b:66.2
occ:1.00
|
CB
|
A:PRO65
|
2.8
|
76.0
|
1.0
|
N
|
A:SER66
|
3.2
|
68.0
|
1.0
|
CB
|
A:PRO68
|
3.3
|
41.5
|
1.0
|
C
|
A:PRO65
|
3.4
|
68.5
|
1.0
|
CG
|
A:PRO65
|
3.4
|
79.3
|
1.0
|
CA
|
A:PRO65
|
3.5
|
78.3
|
1.0
|
CD
|
A:PRO65
|
3.6
|
77.4
|
1.0
|
CA
|
A:PRO68
|
3.8
|
47.4
|
1.0
|
N
|
A:PRO65
|
3.8
|
76.7
|
1.0
|
CD
|
A:PRO68
|
3.8
|
42.9
|
1.0
|
CG
|
A:PRO68
|
3.9
|
45.7
|
1.0
|
CA
|
A:SER66
|
3.9
|
63.9
|
1.0
|
N
|
A:PRO68
|
3.9
|
48.2
|
1.0
|
O
|
A:PRO65
|
4.1
|
73.5
|
1.0
|
CB
|
A:SER66
|
4.6
|
63.8
|
1.0
|
C
|
A:ASN67
|
4.8
|
46.2
|
1.0
|
|
Sodium binding site 7 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 7 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na307
b:42.3
occ:1.00
|
O
|
A:LEU216
|
2.6
|
66.3
|
1.0
|
N
|
A:GLN176
|
2.9
|
33.8
|
1.0
|
O
|
A:LEU174
|
3.6
|
35.2
|
1.0
|
C
|
A:LEU216
|
3.7
|
63.6
|
1.0
|
O
|
A:GLN176
|
3.7
|
31.3
|
1.0
|
CB
|
A:GLN176
|
3.7
|
35.9
|
1.0
|
CA
|
A:GLN176
|
3.7
|
37.3
|
1.0
|
C
|
A:LEU175
|
3.9
|
36.1
|
1.0
|
CA
|
A:LEU175
|
3.9
|
37.7
|
1.0
|
C
|
A:GLN176
|
4.2
|
34.0
|
1.0
|
CD1
|
A:LEU175
|
4.2
|
44.7
|
1.0
|
N
|
A:LEU216
|
4.2
|
46.0
|
1.0
|
CB
|
A:LEU216
|
4.3
|
38.4
|
1.0
|
CA
|
A:LEU216
|
4.3
|
52.4
|
1.0
|
O
|
A:HOH448
|
4.4
|
61.2
|
1.0
|
C
|
A:LEU174
|
4.5
|
38.9
|
1.0
|
CG
|
A:GLN176
|
4.6
|
42.1
|
1.0
|
N
|
A:LEU175
|
4.7
|
40.0
|
1.0
|
N
|
A:ASN217
|
4.8
|
62.2
|
1.0
|
CG1
|
C:VAL222
|
4.8
|
67.5
|
1.0
|
CB
|
A:LEU175
|
4.9
|
33.7
|
1.0
|
OE1
|
A:GLN176
|
4.9
|
44.8
|
1.0
|
CG
|
A:LEU175
|
4.9
|
32.9
|
1.0
|
|
Sodium binding site 8 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 8 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na308
b:51.2
occ:1.00
|
O
|
A:ILE135
|
2.4
|
25.6
|
1.0
|
C
|
A:ILE135
|
3.5
|
29.1
|
1.0
|
CB
|
A:GLU94
|
4.0
|
23.7
|
1.0
|
CG2
|
A:THR136
|
4.0
|
31.6
|
1.0
|
N
|
A:ILE135
|
4.1
|
32.2
|
1.0
|
CG
|
A:GLU94
|
4.1
|
28.3
|
1.0
|
O
|
A:GLU94
|
4.3
|
33.1
|
1.0
|
N
|
A:THR136
|
4.3
|
27.1
|
1.0
|
CA
|
A:ILE135
|
4.4
|
29.6
|
1.0
|
CA
|
A:THR136
|
4.4
|
28.0
|
1.0
|
CD
|
A:GLU94
|
4.5
|
25.6
|
1.0
|
CA
|
A:GLU94
|
4.6
|
25.2
|
1.0
|
OE1
|
A:GLU94
|
4.8
|
30.5
|
1.0
|
CB
|
A:THR136
|
4.8
|
30.1
|
1.0
|
C
|
A:GLU94
|
4.8
|
29.4
|
1.0
|
C
|
A:LYS134
|
4.8
|
31.3
|
1.0
|
CB
|
A:LYS134
|
4.9
|
30.3
|
1.0
|
CB
|
A:ILE135
|
4.9
|
29.5
|
1.0
|
OE2
|
A:GLU94
|
5.0
|
26.4
|
1.0
|
|
Sodium binding site 9 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 9 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 9 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na309
b:49.9
occ:1.00
|
NH2
|
A:ARG153
|
2.8
|
39.1
|
1.0
|
CG
|
A:PRO149
|
3.3
|
42.4
|
1.0
|
CG
|
A:ASP150
|
3.3
|
41.3
|
1.0
|
N
|
A:ASP150
|
3.3
|
33.7
|
1.0
|
OD1
|
A:ASP150
|
3.5
|
45.4
|
1.0
|
CD
|
A:PRO149
|
3.5
|
32.5
|
1.0
|
OD2
|
A:ASP150
|
3.6
|
44.0
|
1.0
|
CB
|
A:ASP150
|
3.6
|
33.3
|
1.0
|
N
|
A:PRO149
|
3.9
|
36.3
|
1.0
|
CZ
|
A:ARG153
|
4.0
|
50.3
|
1.0
|
CA
|
A:ASP150
|
4.1
|
28.7
|
1.0
|
CB
|
A:SER148
|
4.1
|
34.5
|
1.0
|
O
|
A:HOH434
|
4.1
|
40.4
|
1.0
|
CB
|
A:PRO149
|
4.2
|
35.1
|
1.0
|
C
|
A:PRO149
|
4.3
|
38.7
|
1.0
|
OG
|
A:SER148
|
4.3
|
35.0
|
1.0
|
CA
|
A:PRO149
|
4.4
|
37.7
|
1.0
|
NH1
|
A:ARG153
|
4.5
|
45.0
|
1.0
|
C
|
A:SER148
|
4.6
|
30.1
|
1.0
|
CA
|
A:SER148
|
4.9
|
30.0
|
1.0
|
|
Sodium binding site 10 out
of 63 in 6baq
Go back to
Sodium Binding Sites List in 6baq
Sodium binding site 10 out
of 63 in the Mus Musculus BPIFA1
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 10 of Mus Musculus BPIFA1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na310
b:44.5
occ:1.00
|
O
|
A:ASP70
|
2.3
|
39.5
|
1.0
|
O
|
A:HOH424
|
2.7
|
30.7
|
1.0
|
C
|
A:ASP70
|
2.8
|
40.9
|
1.0
|
O
|
A:THR69
|
2.8
|
38.0
|
1.0
|
CA
|
A:ASP70
|
3.2
|
44.6
|
1.0
|
O
|
A:PHE274
|
3.2
|
36.1
|
1.0
|
N
|
A:ALA73
|
3.2
|
25.6
|
1.0
|
CB
|
A:ALA73
|
3.4
|
25.6
|
1.0
|
N
|
A:LEU72
|
3.6
|
31.5
|
1.0
|
C
|
A:THR69
|
3.8
|
37.1
|
1.0
|
N
|
A:LEU71
|
3.8
|
33.9
|
1.0
|
O
|
A:HOH404
|
3.8
|
26.5
|
1.0
|
CA
|
A:ALA73
|
3.9
|
25.9
|
1.0
|
N
|
A:ASP70
|
4.0
|
43.4
|
1.0
|
C
|
A:LEU71
|
4.1
|
34.4
|
1.0
|
C
|
A:PHE274
|
4.1
|
33.5
|
1.0
|
C
|
A:LEU72
|
4.2
|
29.4
|
1.0
|
CA
|
A:LEU72
|
4.3
|
33.3
|
1.0
|
CA
|
A:LEU71
|
4.3
|
35.9
|
1.0
|
CA
|
A:VAL275
|
4.4
|
35.2
|
1.0
|
NA
|
A:NA302
|
4.5
|
52.0
|
1.0
|
CB
|
A:ASP70
|
4.5
|
41.6
|
1.0
|
CB
|
A:LEU72
|
4.5
|
30.0
|
1.0
|
CD1
|
A:PHE274
|
4.6
|
45.9
|
1.0
|
N
|
A:VAL275
|
4.7
|
36.7
|
1.0
|
CB
|
A:PHE274
|
4.7
|
41.9
|
1.0
|
O
|
A:LEU71
|
4.7
|
30.2
|
1.0
|
CG
|
A:PHE274
|
4.8
|
34.1
|
1.0
|
N
|
A:ILE276
|
4.8
|
38.7
|
1.0
|
N
|
A:GLY74
|
4.9
|
21.8
|
1.0
|
|
Reference:
M.S.Little,
M.R.Redinbo.
Crystal Structure of the Mouse Innate Immunity Factor Bacterial Permeability-Increasing Family Member A1. Acta Crystallogr F Struct V. 74 268 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 29717993
DOI: 10.1107/S2053230X18004600
Page generated: Tue Oct 8 02:00:22 2024
|