Sodium in PDB 5znn: Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin
Protein crystallography data
The structure of Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin, PDB code: 5znn
was solved by
T.Yabe-Wada,
M.Unno,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.61 /
2.45
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.264,
138.496,
146.680,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18 /
21.7
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin
(pdb code 5znn). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 5 binding sites of Sodium where determined in the
Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin, PDB code: 5znn:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
Sodium binding site 1 out
of 5 in 5znn
Go back to
Sodium Binding Sites List in 5znn
Sodium binding site 1 out
of 5 in the Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin
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 Ligand-Free Form of the VPS10 Ectodomain of Sortilin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na808
b:74.9
occ:1.00
|
OE1
|
A:GLU185
|
2.4
|
70.9
|
1.0
|
OG
|
A:SER190
|
2.7
|
51.9
|
1.0
|
O
|
A:HOH1078
|
2.9
|
55.6
|
1.0
|
N
|
A:VAL186
|
3.0
|
45.8
|
1.0
|
O
|
A:GLY192
|
3.1
|
48.2
|
1.0
|
CB
|
A:VAL186
|
3.5
|
38.4
|
1.0
|
N
|
A:SER190
|
3.5
|
46.8
|
1.0
|
CE1
|
A:HIS213
|
3.6
|
44.0
|
1.0
|
CD
|
A:GLU185
|
3.6
|
67.4
|
1.0
|
CA
|
A:VAL186
|
3.7
|
44.1
|
1.0
|
CB
|
A:SER190
|
3.7
|
52.1
|
1.0
|
CG2
|
A:VAL186
|
3.8
|
42.3
|
1.0
|
C
|
A:GLU185
|
3.9
|
45.0
|
1.0
|
C
|
A:GLY192
|
3.9
|
48.1
|
1.0
|
CA
|
A:GLU185
|
4.0
|
44.0
|
1.0
|
O
|
A:VAL186
|
4.0
|
46.0
|
1.0
|
CB
|
A:GLU185
|
4.0
|
54.1
|
1.0
|
ND1
|
A:HIS213
|
4.1
|
42.6
|
1.0
|
CA
|
A:SER190
|
4.1
|
40.6
|
1.0
|
C
|
A:GLY189
|
4.1
|
46.9
|
1.0
|
O
|
A:SER190
|
4.2
|
42.1
|
1.0
|
CA
|
A:GLY189
|
4.3
|
41.0
|
1.0
|
C
|
A:VAL186
|
4.3
|
45.0
|
1.0
|
C
|
A:SER190
|
4.4
|
40.4
|
1.0
|
CG
|
A:GLU185
|
4.4
|
64.8
|
1.0
|
CA
|
A:GLY193
|
4.5
|
35.9
|
1.0
|
N
|
A:GLY193
|
4.5
|
43.4
|
1.0
|
OE2
|
A:GLU185
|
4.6
|
65.9
|
1.0
|
NE2
|
A:HIS213
|
4.8
|
43.4
|
1.0
|
O
|
A:HOH1036
|
4.8
|
46.9
|
1.0
|
CG1
|
A:VAL186
|
4.8
|
39.9
|
1.0
|
N
|
A:GLY192
|
4.8
|
42.0
|
1.0
|
O
|
A:GLY189
|
4.9
|
44.9
|
1.0
|
CA
|
A:GLY192
|
4.9
|
46.4
|
1.0
|
N
|
A:GLY189
|
5.0
|
41.5
|
1.0
|
|
Sodium binding site 2 out
of 5 in 5znn
Go back to
Sodium Binding Sites List in 5znn
Sodium binding site 2 out
of 5 in the Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin
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 Ligand-Free Form of the VPS10 Ectodomain of Sortilin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na809
b:88.4
occ:1.00
|
N
|
A:ASN262
|
2.4
|
60.4
|
1.0
|
N
|
A:PRO261
|
2.6
|
62.1
|
1.0
|
N
|
A:ILE264
|
2.6
|
52.5
|
1.0
|
CB
|
A:ILE264
|
2.7
|
43.7
|
1.0
|
C
|
A:GLY260
|
2.8
|
55.6
|
1.0
|
CD
|
A:PRO261
|
2.9
|
64.0
|
1.0
|
CG1
|
A:ILE264
|
3.1
|
48.3
|
1.0
|
CA
|
A:GLY260
|
3.1
|
50.9
|
1.0
|
CA
|
A:ILE264
|
3.2
|
49.6
|
1.0
|
C
|
A:PRO261
|
3.2
|
72.0
|
1.0
|
C
|
A:ASN262
|
3.2
|
51.9
|
1.0
|
N
|
A:ASN263
|
3.2
|
47.4
|
1.0
|
CA
|
A:ASN262
|
3.3
|
55.6
|
1.0
|
CA
|
A:PRO261
|
3.3
|
66.6
|
1.0
|
CD1
|
A:ILE264
|
3.5
|
52.6
|
1.0
|
O
|
A:GLY260
|
3.5
|
52.2
|
1.0
|
C
|
A:ASN263
|
3.7
|
52.6
|
1.0
|
O
|
A:ILE264
|
3.8
|
41.6
|
1.0
|
O
|
A:ASN262
|
3.8
|
49.5
|
1.0
|
N
|
A:GLY260
|
3.9
|
54.9
|
1.0
|
C
|
A:ILE264
|
3.9
|
44.6
|
1.0
|
CB
|
A:ASN262
|
4.0
|
60.7
|
1.0
|
CA
|
A:ASN263
|
4.0
|
46.2
|
1.0
|
CG2
|
A:ILE264
|
4.0
|
43.8
|
1.0
|
CG
|
A:PRO261
|
4.1
|
62.7
|
1.0
|
CB
|
A:PRO261
|
4.1
|
63.0
|
1.0
|
O
|
A:PRO261
|
4.3
|
81.1
|
1.0
|
O
|
A:HOH938
|
4.5
|
44.4
|
1.0
|
ND2
|
A:ASN262
|
4.8
|
64.9
|
1.0
|
O
|
A:ASN263
|
4.8
|
58.9
|
1.0
|
CG
|
A:ASN262
|
4.9
|
66.7
|
1.0
|
|
Sodium binding site 3 out
of 5 in 5znn
Go back to
Sodium Binding Sites List in 5znn
Sodium binding site 3 out
of 5 in the Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin
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 Ligand-Free Form of the VPS10 Ectodomain of Sortilin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na810
b:88.8
occ:1.00
|
N2
|
A:NAG801
|
2.5
|
52.9
|
1.0
|
OE2
|
A:GLU573
|
2.7
|
56.6
|
1.0
|
O
|
A:HOH1024
|
3.1
|
57.3
|
1.0
|
OG
|
A:SER118
|
3.1
|
67.9
|
1.0
|
C8
|
A:NAG801
|
3.1
|
47.1
|
1.0
|
C7
|
A:NAG801
|
3.2
|
55.9
|
1.0
|
CD
|
A:GLU573
|
3.3
|
56.4
|
1.0
|
OE1
|
A:GLU573
|
3.4
|
54.8
|
1.0
|
C2
|
A:NAG801
|
3.5
|
49.8
|
1.0
|
O3
|
A:NAG801
|
3.6
|
48.9
|
1.0
|
CA
|
A:SER118
|
3.6
|
67.1
|
1.0
|
CB
|
A:SER118
|
3.7
|
67.0
|
1.0
|
N
|
A:SER118
|
4.1
|
65.0
|
1.0
|
C3
|
A:NAG801
|
4.1
|
48.2
|
1.0
|
CE1
|
A:TYR148
|
4.2
|
52.4
|
1.0
|
O7
|
A:NAG801
|
4.4
|
68.1
|
1.0
|
OD1
|
A:ASP117
|
4.5
|
60.2
|
0.5
|
CG
|
A:GLU573
|
4.5
|
54.5
|
1.0
|
OH
|
A:TYR148
|
4.7
|
63.1
|
1.0
|
C1
|
A:NAG801
|
4.8
|
40.4
|
1.0
|
CZ
|
A:TYR148
|
4.9
|
56.8
|
1.0
|
C
|
A:SER118
|
4.9
|
61.4
|
1.0
|
ND2
|
A:ASN580
|
4.9
|
58.4
|
1.0
|
CD1
|
A:TYR148
|
4.9
|
52.0
|
1.0
|
O
|
A:HOH945
|
4.9
|
42.6
|
1.0
|
|
Sodium binding site 4 out
of 5 in 5znn
Go back to
Sodium Binding Sites List in 5znn
Sodium binding site 4 out
of 5 in the Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin
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 Ligand-Free Form of the VPS10 Ectodomain of Sortilin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na811
b:73.9
occ:1.00
|
O
|
B:HOH1010
|
2.5
|
58.2
|
1.0
|
O
|
B:HOH1048
|
3.1
|
39.4
|
1.0
|
N
|
B:SER225
|
3.4
|
33.9
|
1.0
|
CA
|
B:ASN224
|
3.7
|
42.5
|
1.0
|
OG
|
B:SER225
|
3.9
|
44.4
|
1.0
|
C
|
B:ASN224
|
4.0
|
41.6
|
1.0
|
N
|
B:ASN224
|
4.1
|
45.2
|
1.0
|
CB
|
B:SER225
|
4.2
|
30.1
|
1.0
|
O
|
B:GLN223
|
4.2
|
49.2
|
1.0
|
C
|
B:GLN223
|
4.3
|
44.5
|
1.0
|
CA
|
B:SER225
|
4.4
|
31.7
|
1.0
|
O
|
B:HOH919
|
4.7
|
39.2
|
1.0
|
OD1
|
B:ASN224
|
4.9
|
47.7
|
1.0
|
|
Sodium binding site 5 out
of 5 in 5znn
Go back to
Sodium Binding Sites List in 5znn
Sodium binding site 5 out
of 5 in the Crystal Structure of Ligand-Free Form of the VPS10 Ectodomain of Sortilin
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 Ligand-Free Form of the VPS10 Ectodomain of Sortilin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na812
b:65.7
occ:1.00
|
OG1
|
B:THR216
|
2.4
|
52.7
|
1.0
|
N
|
B:LEU231
|
2.9
|
47.5
|
1.0
|
O
|
B:GLN217
|
3.2
|
43.8
|
1.0
|
CA
|
B:ALA230
|
3.5
|
41.6
|
1.0
|
O
|
B:THR216
|
3.6
|
43.1
|
1.0
|
CB
|
B:THR216
|
3.6
|
49.1
|
1.0
|
C
|
B:ALA230
|
3.6
|
47.2
|
1.0
|
CB
|
B:LEU231
|
3.7
|
39.8
|
1.0
|
C
|
B:THR216
|
3.8
|
45.0
|
1.0
|
CA
|
B:LEU231
|
3.9
|
43.7
|
1.0
|
CA
|
B:THR216
|
4.1
|
46.5
|
1.0
|
C
|
B:GLN217
|
4.1
|
38.4
|
1.0
|
N
|
B:THR216
|
4.2
|
42.0
|
1.0
|
CB
|
B:ALA230
|
4.2
|
28.6
|
1.0
|
O
|
B:LEU229
|
4.3
|
36.0
|
1.0
|
O
|
B:LEU231
|
4.4
|
41.3
|
1.0
|
CE
|
B:MET219
|
4.4
|
33.0
|
0.3
|
N
|
B:GLN217
|
4.4
|
42.4
|
1.0
|
N
|
B:ALA230
|
4.5
|
42.3
|
1.0
|
CG
|
B:MET219
|
4.6
|
38.3
|
0.4
|
CG
|
B:MET219
|
4.6
|
38.4
|
0.3
|
C
|
B:LEU231
|
4.6
|
41.8
|
1.0
|
CD1
|
B:LEU229
|
4.7
|
45.0
|
1.0
|
N
|
B:MET218
|
4.8
|
42.5
|
1.0
|
C
|
B:LEU229
|
4.8
|
37.7
|
1.0
|
O
|
B:ALA230
|
4.8
|
52.9
|
1.0
|
CG2
|
B:THR216
|
4.8
|
41.8
|
1.0
|
CA
|
B:MET218
|
4.8
|
43.2
|
1.0
|
CG
|
B:MET219
|
4.9
|
38.5
|
0.3
|
CA
|
B:GLN217
|
4.9
|
31.3
|
1.0
|
SD
|
B:MET219
|
4.9
|
40.7
|
0.4
|
|
Reference:
T.Yabe-Wada,
S.Matsuba,
M.Unno,
N.Onai.
Crystal Structure of the Ligand-Free Form of the VPS10 Ectodomain of Dimerized Sortilin at Acidic pH Febs Lett. V. 592 2647 2018.
ISSN: ISSN 1873-3468
PubMed: 29972886
DOI: 10.1002/1873-3468.13181
Page generated: Tue Oct 8 01:32:00 2024
|