Sodium in PDB 5h9v: Crystal Structure of Regnase Pin Domain, Form I
Protein crystallography data
The structure of Crystal Structure of Regnase Pin Domain, Form I, PDB code: 5h9v
was solved by
M.Yokogawa,
T.Tsushima,
W.Adachi,
N.N.Noda,
F.Inagaki,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.49 /
2.75
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
113.370,
113.370,
187.438,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
18.9 /
22.6
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Regnase Pin Domain, Form I
(pdb code 5h9v). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Crystal Structure of Regnase Pin Domain, Form I, PDB code: 5h9v:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 5h9v
Go back to
Sodium Binding Sites List in 5h9v
Sodium binding site 1 out
of 4 in the Crystal Structure of Regnase Pin Domain, Form I
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 Regnase Pin Domain, Form I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na401
b:73.4
occ:1.00
|
O
|
A:ASN151
|
2.1
|
67.2
|
1.0
|
O
|
A:HIS149
|
2.2
|
55.6
|
1.0
|
O
|
A:VAL154
|
2.2
|
58.4
|
1.0
|
O
|
A:MSE147
|
2.3
|
61.4
|
1.0
|
O
|
A:ALA146
|
2.7
|
56.3
|
1.0
|
C
|
A:MSE147
|
3.0
|
60.8
|
1.0
|
C
|
A:ASN151
|
3.3
|
70.4
|
1.0
|
C
|
A:VAL154
|
3.4
|
57.4
|
1.0
|
C
|
A:HIS149
|
3.4
|
57.8
|
1.0
|
CA
|
A:MSE147
|
3.4
|
59.7
|
1.0
|
C
|
A:ALA146
|
3.7
|
55.8
|
1.0
|
CB
|
A:SER156
|
3.9
|
59.2
|
1.0
|
N
|
A:HIS149
|
3.9
|
56.4
|
1.0
|
N
|
A:SER156
|
3.9
|
55.5
|
1.0
|
N
|
A:ASN151
|
4.0
|
72.8
|
1.0
|
N
|
A:VAL154
|
4.0
|
61.8
|
1.0
|
C
|
A:SER148
|
4.0
|
59.3
|
1.0
|
C
|
A:GLY150
|
4.0
|
67.9
|
1.0
|
N
|
A:SER148
|
4.1
|
59.4
|
1.0
|
N
|
A:MSE147
|
4.1
|
56.9
|
1.0
|
CA
|
A:VAL154
|
4.1
|
59.8
|
1.0
|
CA
|
A:LYS152
|
4.1
|
70.0
|
1.0
|
N
|
A:LYS152
|
4.2
|
70.3
|
1.0
|
CA
|
A:HIS149
|
4.3
|
57.9
|
1.0
|
C
|
A:LYS152
|
4.3
|
71.6
|
1.0
|
CB
|
A:VAL154
|
4.3
|
59.9
|
1.0
|
CA
|
A:ASN151
|
4.3
|
74.1
|
1.0
|
N
|
A:GLY150
|
4.3
|
61.5
|
1.0
|
O
|
A:SER148
|
4.4
|
60.8
|
1.0
|
O
|
A:GLY150
|
4.4
|
69.1
|
1.0
|
CA
|
A:GLY150
|
4.4
|
65.9
|
1.0
|
N
|
A:PHE155
|
4.4
|
58.1
|
1.0
|
O
|
A:LYS152
|
4.5
|
78.4
|
1.0
|
CB
|
A:MSE147
|
4.6
|
62.5
|
1.0
|
CA
|
A:SER148
|
4.6
|
60.4
|
1.0
|
CA
|
A:SER156
|
4.6
|
57.7
|
1.0
|
CA
|
A:PHE155
|
4.6
|
56.9
|
1.0
|
C
|
A:PHE155
|
4.7
|
57.3
|
1.0
|
N
|
A:GLU153
|
4.8
|
69.9
|
1.0
|
CB
|
A:ASN151
|
4.8
|
79.1
|
1.0
|
CG1
|
A:VAL154
|
4.9
|
59.5
|
1.0
|
|
Sodium binding site 2 out
of 4 in 5h9v
Go back to
Sodium Binding Sites List in 5h9v
Sodium binding site 2 out
of 4 in the Crystal Structure of Regnase Pin Domain, Form I
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 Regnase Pin Domain, Form I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na401
b:79.6
occ:1.00
|
O
|
B:HIS149
|
2.0
|
56.1
|
1.0
|
O
|
B:ASN151
|
2.0
|
71.3
|
1.0
|
O
|
B:MSE147
|
2.3
|
63.2
|
1.0
|
O
|
B:VAL154
|
2.3
|
62.8
|
1.0
|
O
|
B:ALA146
|
2.7
|
54.2
|
1.0
|
C
|
B:MSE147
|
3.1
|
63.3
|
1.0
|
C
|
B:ASN151
|
3.2
|
73.5
|
1.0
|
C
|
B:HIS149
|
3.2
|
55.7
|
1.0
|
C
|
B:VAL154
|
3.5
|
65.2
|
1.0
|
CA
|
B:MSE147
|
3.7
|
61.6
|
1.0
|
CB
|
B:SER156
|
3.7
|
58.6
|
1.0
|
C
|
B:GLY150
|
3.7
|
67.8
|
1.0
|
N
|
B:HIS149
|
3.7
|
55.4
|
1.0
|
N
|
B:ASN151
|
3.8
|
71.4
|
1.0
|
C
|
B:ALA146
|
3.8
|
55.1
|
1.0
|
O
|
B:GLY150
|
3.9
|
72.9
|
1.0
|
C
|
B:SER148
|
4.0
|
58.4
|
1.0
|
N
|
B:VAL154
|
4.0
|
72.7
|
1.0
|
CA
|
B:ASN151
|
4.0
|
73.2
|
1.0
|
CA
|
B:HIS149
|
4.0
|
54.0
|
1.0
|
N
|
B:LYS152
|
4.1
|
74.3
|
1.0
|
N
|
B:GLY150
|
4.1
|
58.6
|
1.0
|
N
|
B:SER156
|
4.1
|
60.0
|
1.0
|
N
|
B:SER148
|
4.1
|
62.1
|
1.0
|
CA
|
B:VAL154
|
4.1
|
67.6
|
1.0
|
CA
|
B:LYS152
|
4.2
|
74.6
|
1.0
|
CA
|
B:GLY150
|
4.2
|
63.9
|
1.0
|
CB
|
B:VAL154
|
4.2
|
66.2
|
1.0
|
N
|
B:MSE147
|
4.3
|
58.1
|
1.0
|
O
|
B:SER148
|
4.4
|
57.6
|
1.0
|
C
|
B:LYS152
|
4.5
|
76.6
|
1.0
|
CB
|
B:ASN151
|
4.5
|
74.4
|
1.0
|
CA
|
B:SER148
|
4.6
|
62.2
|
1.0
|
N
|
B:PHE155
|
4.6
|
66.7
|
1.0
|
CA
|
B:SER156
|
4.6
|
58.9
|
1.0
|
OG
|
B:SER156
|
4.7
|
58.9
|
1.0
|
CB
|
B:HIS149
|
4.8
|
52.1
|
1.0
|
CG1
|
B:VAL154
|
4.9
|
65.5
|
1.0
|
O
|
B:LYS152
|
4.9
|
73.7
|
1.0
|
CA
|
B:PHE155
|
4.9
|
61.7
|
1.0
|
N
|
B:GLU153
|
4.9
|
79.7
|
1.0
|
C
|
B:PHE155
|
4.9
|
60.9
|
1.0
|
CB
|
B:MSE147
|
5.0
|
64.9
|
1.0
|
|
Sodium binding site 3 out
of 4 in 5h9v
Go back to
Sodium Binding Sites List in 5h9v
Sodium binding site 3 out
of 4 in the Crystal Structure of Regnase Pin Domain, Form I
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 Regnase Pin Domain, Form I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na401
b:85.5
occ:1.00
|
O
|
C:HIS149
|
2.0
|
69.3
|
1.0
|
O
|
C:ASN151
|
2.0
|
77.0
|
1.0
|
O
|
C:MSE147
|
2.4
|
72.1
|
1.0
|
O
|
C:VAL154
|
2.4
|
76.8
|
1.0
|
O
|
C:ALA146
|
2.8
|
70.2
|
1.0
|
C
|
C:ASN151
|
3.2
|
77.9
|
1.0
|
C
|
C:HIS149
|
3.2
|
67.1
|
1.0
|
C
|
C:MSE147
|
3.3
|
73.8
|
1.0
|
C
|
C:VAL154
|
3.5
|
79.1
|
1.0
|
CB
|
C:SER156
|
3.6
|
73.2
|
1.0
|
C
|
C:GLY150
|
3.7
|
76.1
|
1.0
|
N
|
C:ASN151
|
3.7
|
78.0
|
1.0
|
CA
|
C:MSE147
|
3.8
|
76.1
|
1.0
|
C
|
C:ALA146
|
3.9
|
69.0
|
1.0
|
CA
|
C:GLY150
|
4.0
|
72.6
|
1.0
|
N
|
C:GLY150
|
4.0
|
68.5
|
1.0
|
N
|
C:VAL154
|
4.0
|
83.8
|
1.0
|
CA
|
C:ASN151
|
4.0
|
78.4
|
1.0
|
N
|
C:SER156
|
4.0
|
72.7
|
1.0
|
O
|
C:GLY150
|
4.1
|
78.8
|
1.0
|
N
|
C:LYS152
|
4.1
|
78.9
|
1.0
|
N
|
C:HIS149
|
4.1
|
63.9
|
1.0
|
C
|
C:SER148
|
4.1
|
68.2
|
1.0
|
CA
|
C:VAL154
|
4.1
|
81.8
|
1.0
|
CA
|
C:LYS152
|
4.2
|
80.8
|
1.0
|
CB
|
C:VAL154
|
4.2
|
80.6
|
1.0
|
CA
|
C:HIS149
|
4.2
|
64.4
|
1.0
|
O
|
C:SER148
|
4.3
|
71.2
|
1.0
|
N
|
C:SER148
|
4.3
|
70.2
|
1.0
|
N
|
C:MSE147
|
4.4
|
70.7
|
1.0
|
CB
|
C:ASN151
|
4.4
|
80.3
|
1.0
|
CA
|
C:SER156
|
4.5
|
71.8
|
1.0
|
C
|
C:LYS152
|
4.5
|
83.6
|
1.0
|
N
|
C:PHE155
|
4.6
|
81.2
|
1.0
|
OG
|
C:SER156
|
4.7
|
72.9
|
1.0
|
CA
|
C:SER148
|
4.7
|
68.7
|
1.0
|
CG1
|
C:VAL154
|
4.8
|
79.5
|
1.0
|
N
|
C:GLU153
|
4.8
|
86.6
|
1.0
|
C
|
C:PHE155
|
4.8
|
76.9
|
1.0
|
CA
|
C:PHE155
|
4.9
|
78.4
|
1.0
|
O
|
C:LYS152
|
4.9
|
83.0
|
1.0
|
|
Sodium binding site 4 out
of 4 in 5h9v
Go back to
Sodium Binding Sites List in 5h9v
Sodium binding site 4 out
of 4 in the Crystal Structure of Regnase Pin Domain, Form I
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 Regnase Pin Domain, Form I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na401
b:88.7
occ:1.00
|
O
|
D:ASN151
|
1.8
|
75.0
|
1.0
|
O
|
D:HIS149
|
1.9
|
59.7
|
1.0
|
O
|
D:VAL154
|
2.5
|
63.5
|
1.0
|
O
|
D:MSE147
|
2.6
|
66.0
|
1.0
|
O
|
D:ALA146
|
2.9
|
60.0
|
1.0
|
C
|
D:ASN151
|
3.0
|
81.6
|
1.0
|
C
|
D:HIS149
|
3.1
|
62.1
|
1.0
|
C
|
D:MSE147
|
3.2
|
64.1
|
1.0
|
C
|
D:VAL154
|
3.6
|
66.7
|
1.0
|
C
|
D:GLY150
|
3.6
|
82.3
|
1.0
|
CA
|
D:MSE147
|
3.7
|
63.5
|
1.0
|
O
|
D:GLY150
|
3.7
|
88.3
|
1.0
|
N
|
D:HIS149
|
3.8
|
60.6
|
1.0
|
N
|
D:ASN151
|
3.8
|
89.0
|
1.0
|
CB
|
D:SER156
|
3.9
|
66.4
|
1.0
|
C
|
D:SER148
|
3.9
|
62.5
|
1.0
|
C
|
D:ALA146
|
3.9
|
60.7
|
1.0
|
CA
|
D:HIS149
|
4.0
|
61.1
|
1.0
|
N
|
D:LYS152
|
4.0
|
82.1
|
1.0
|
CA
|
D:ASN151
|
4.0
|
86.8
|
1.0
|
N
|
D:GLY150
|
4.0
|
66.8
|
1.0
|
O
|
D:SER148
|
4.1
|
64.2
|
1.0
|
N
|
D:SER156
|
4.1
|
62.7
|
1.0
|
CA
|
D:LYS152
|
4.1
|
81.3
|
1.0
|
N
|
D:VAL154
|
4.1
|
73.2
|
1.0
|
CA
|
D:GLY150
|
4.2
|
76.8
|
1.0
|
N
|
D:SER148
|
4.2
|
61.2
|
1.0
|
CA
|
D:VAL154
|
4.3
|
69.8
|
1.0
|
N
|
D:MSE147
|
4.3
|
61.1
|
1.0
|
CB
|
D:VAL154
|
4.4
|
70.2
|
1.0
|
C
|
D:LYS152
|
4.4
|
80.1
|
1.0
|
CB
|
D:ASN151
|
4.6
|
88.8
|
1.0
|
CA
|
D:SER148
|
4.6
|
61.7
|
1.0
|
CA
|
D:SER156
|
4.6
|
63.7
|
1.0
|
N
|
D:PHE155
|
4.7
|
67.1
|
1.0
|
N
|
D:GLU153
|
4.7
|
81.7
|
1.0
|
CB
|
D:HIS149
|
4.7
|
60.9
|
1.0
|
CA
|
D:PHE155
|
4.9
|
63.9
|
1.0
|
CB
|
D:MSE147
|
4.9
|
67.5
|
1.0
|
C
|
D:PHE155
|
4.9
|
64.1
|
1.0
|
O
|
D:LYS152
|
4.9
|
77.7
|
1.0
|
CG1
|
D:VAL154
|
5.0
|
69.9
|
1.0
|
OG
|
D:SER156
|
5.0
|
70.8
|
1.0
|
|
Reference:
M.Yokogawa,
T.Tsushima,
N.N.Noda,
H.Kumeta,
Y.Enokizono,
K.Yamashita,
D.M.Standley,
O.Takeuchi,
S.Akira,
F.Inagaki.
Structural Basis For the Regulation of Enzymatic Activity of Regnase-1 By Domain-Domain Interactions Sci Rep V. 6 22324 2016.
ISSN: ESSN 2045-2322
PubMed: 26927947
DOI: 10.1038/SREP22324
Page generated: Mon Oct 7 21:20:52 2024
|