Sodium in PDB 3fz3: Crystal Structure of Almond PRU1 Protein
Protein crystallography data
The structure of Crystal Structure of Almond PRU1 Protein, PDB code: 3fz3
was solved by
T.C.Jin,
Y.Z.Zhang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
36.08 /
2.40
|
Space group
|
P 41
|
Cell size a, b, c (Å), α, β, γ (°)
|
151.021,
151.021,
165.367,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.2 /
22.9
|
Other elements in 3fz3:
The structure of Crystal Structure of Almond PRU1 Protein also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Almond PRU1 Protein
(pdb code 3fz3). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 9 binding sites of Sodium where determined in the
Crystal Structure of Almond PRU1 Protein, PDB code: 3fz3:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Sodium binding site 1 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 1 out
of 9 in the Crystal Structure of Almond PRU1 Protein
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 Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na552
b:53.0
occ:1.00
|
OD1
|
A:ASN296
|
3.8
|
47.0
|
1.0
|
NE2
|
B:GLN449
|
4.1
|
49.5
|
1.0
|
O
|
A:HOH565
|
4.2
|
48.9
|
1.0
|
OD2
|
B:ASP460
|
4.5
|
50.1
|
1.0
|
CA
|
A:ASN296
|
4.5
|
49.1
|
1.0
|
CB
|
A:ASN296
|
4.6
|
49.0
|
1.0
|
CG
|
A:ASN296
|
4.6
|
47.6
|
1.0
|
O
|
B:HOH708
|
4.7
|
45.6
|
1.0
|
|
Sodium binding site 2 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 2 out
of 9 in the Crystal Structure of Almond PRU1 Protein
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 Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na9
b:50.2
occ:1.00
|
O
|
D:HOH1025
|
2.1
|
43.9
|
1.0
|
O
|
A:HOH604
|
3.2
|
51.0
|
1.0
|
NH1
|
A:ARG505
|
3.4
|
51.6
|
1.0
|
NH1
|
A:ARG510
|
3.7
|
35.0
|
1.0
|
NH2
|
A:ARG510
|
3.8
|
39.3
|
1.0
|
CZ
|
A:ARG510
|
4.2
|
37.1
|
1.0
|
CG
|
A:ARG505
|
4.3
|
42.9
|
1.0
|
NH2
|
D:ARG510
|
4.4
|
36.1
|
1.0
|
CD
|
A:ARG505
|
4.4
|
46.8
|
1.0
|
CZ
|
A:ARG505
|
4.5
|
45.9
|
1.0
|
NE
|
A:ARG505
|
4.9
|
47.8
|
1.0
|
|
Sodium binding site 3 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 3 out
of 9 in the Crystal Structure of Almond PRU1 Protein
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 Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na552
b:40.7
occ:1.00
|
ND2
|
B:ASN296
|
3.4
|
30.4
|
1.0
|
NE2
|
C:GLN449
|
3.8
|
41.6
|
1.0
|
CA
|
B:ASN296
|
4.0
|
34.3
|
1.0
|
O
|
B:HOH728
|
4.1
|
45.2
|
1.0
|
CB
|
B:ASN296
|
4.2
|
34.9
|
1.0
|
CG
|
B:ASN296
|
4.3
|
35.2
|
1.0
|
OD2
|
C:ASP460
|
4.3
|
52.5
|
1.0
|
N
|
B:ASN296
|
4.4
|
34.0
|
1.0
|
O
|
C:HOH828
|
4.5
|
43.2
|
1.0
|
|
Sodium binding site 4 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 4 out
of 9 in the Crystal Structure of Almond PRU1 Protein
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 Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na552
b:51.1
occ:1.00
|
O
|
C:HOH641
|
3.2
|
39.2
|
1.0
|
ND2
|
C:ASN296
|
3.7
|
47.8
|
1.0
|
CA
|
C:ASN296
|
3.9
|
47.5
|
1.0
|
CB
|
C:ASN296
|
4.0
|
48.2
|
1.0
|
NE2
|
A:GLN449
|
4.2
|
48.9
|
1.0
|
CG
|
C:ASN296
|
4.3
|
49.2
|
1.0
|
N
|
C:ASN296
|
4.4
|
46.5
|
1.0
|
OD2
|
A:ASP460
|
4.7
|
62.5
|
1.0
|
|
Sodium binding site 5 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 5 out
of 9 in the Crystal Structure of Almond PRU1 Protein
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 Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na552
b:58.3
occ:1.00
|
NE2
|
E:GLN449
|
4.0
|
48.6
|
1.0
|
ND2
|
D:ASN296
|
4.0
|
51.5
|
1.0
|
CA
|
D:ASN296
|
4.1
|
48.6
|
1.0
|
OD2
|
E:ASP460
|
4.2
|
62.6
|
1.0
|
CB
|
D:ASN296
|
4.3
|
49.3
|
1.0
|
N
|
D:ASN296
|
4.4
|
47.0
|
1.0
|
CG
|
D:ASN296
|
4.5
|
51.1
|
1.0
|
|
Sodium binding site 6 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 6 out
of 9 in the Crystal Structure of Almond PRU1 Protein
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 Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na552
b:67.8
occ:1.00
|
ND2
|
E:ASN296
|
2.9
|
45.1
|
1.0
|
NH2
|
F:ARG447
|
3.9
|
54.9
|
1.0
|
CG
|
E:ASN296
|
3.9
|
47.5
|
1.0
|
CB
|
E:ASN296
|
4.0
|
48.2
|
1.0
|
NE2
|
F:GLN449
|
4.1
|
46.9
|
1.0
|
CA
|
E:ASN296
|
4.1
|
47.8
|
1.0
|
OD2
|
F:ASP460
|
4.6
|
51.9
|
1.0
|
O
|
E:HOH578
|
4.8
|
41.2
|
1.0
|
CZ
|
F:ARG447
|
4.9
|
52.3
|
1.0
|
N
|
E:ASN296
|
4.9
|
48.9
|
1.0
|
O
|
E:PHE295
|
5.0
|
50.7
|
1.0
|
|
Sodium binding site 7 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 7 out
of 9 in the Crystal Structure of Almond PRU1 Protein
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Crystal Structure of Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na8
b:44.8
occ:1.00
|
O
|
C:HOH1018
|
2.2
|
48.8
|
1.0
|
NH2
|
E:ARG510
|
3.4
|
43.5
|
1.0
|
NH1
|
E:ARG505
|
3.7
|
55.3
|
1.0
|
OE1
|
E:GLN536
|
4.0
|
61.5
|
1.0
|
NH1
|
E:ARG510
|
4.3
|
39.4
|
1.0
|
CZ
|
E:ARG510
|
4.3
|
42.2
|
1.0
|
NH2
|
B:ARG189
|
4.4
|
63.5
|
1.0
|
NH2
|
C:ARG510
|
4.5
|
34.3
|
1.0
|
CD
|
E:ARG505
|
4.7
|
48.8
|
1.0
|
O
|
E:HOH565
|
4.8
|
44.9
|
1.0
|
CZ
|
E:ARG505
|
4.8
|
47.8
|
1.0
|
CD
|
E:GLN536
|
5.0
|
58.5
|
1.0
|
|
Sodium binding site 8 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 8 out
of 9 in the Crystal Structure of Almond PRU1 Protein
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Crystal Structure of Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Na552
b:44.0
occ:1.00
|
O
|
F:HOH626
|
3.2
|
49.6
|
1.0
|
O
|
F:HOH1011
|
3.2
|
39.5
|
1.0
|
O
|
F:HOH992
|
3.8
|
39.0
|
1.0
|
ND2
|
F:ASN296
|
3.8
|
35.0
|
1.0
|
CA
|
F:ASN296
|
4.0
|
34.0
|
1.0
|
NE2
|
D:GLN449
|
4.3
|
35.4
|
1.0
|
CB
|
F:ASN296
|
4.3
|
34.0
|
1.0
|
N
|
F:ASN296
|
4.4
|
34.8
|
1.0
|
CG
|
F:ASN296
|
4.5
|
34.6
|
1.0
|
OD2
|
D:ASP460
|
4.7
|
52.4
|
1.0
|
|
Sodium binding site 9 out
of 9 in 3fz3
Go back to
Sodium Binding Sites List in 3fz3
Sodium binding site 9 out
of 9 in the Crystal Structure of Almond PRU1 Protein
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 9 of Crystal Structure of Almond PRU1 Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Na7
b:53.6
occ:1.00
|
O
|
B:HOH1019
|
2.2
|
55.9
|
1.0
|
NH2
|
F:ARG510
|
2.8
|
42.9
|
1.0
|
NH1
|
F:ARG505
|
3.7
|
66.3
|
1.0
|
NH2
|
B:ARG510
|
4.0
|
46.2
|
1.0
|
CZ
|
F:ARG510
|
4.1
|
44.2
|
1.0
|
NH2
|
E:ARG185
|
4.2
|
77.3
|
1.0
|
CD
|
F:ARG505
|
4.4
|
50.8
|
1.0
|
NH1
|
B:ARG505
|
4.6
|
61.7
|
1.0
|
NH1
|
E:ARG185
|
4.7
|
77.3
|
1.0
|
CZ
|
E:ARG185
|
4.7
|
93.4
|
1.0
|
NE2
|
F:GLN536
|
4.7
|
56.1
|
1.0
|
CZ
|
F:ARG505
|
4.8
|
50.7
|
1.0
|
NH2
|
A:ARG189
|
4.8
|
58.3
|
1.0
|
NH1
|
F:ARG510
|
4.8
|
45.7
|
1.0
|
CZ
|
B:ARG510
|
5.0
|
44.2
|
1.0
|
NH1
|
B:ARG510
|
5.0
|
46.7
|
1.0
|
NE
|
F:ARG510
|
5.0
|
39.0
|
1.0
|
|
Reference:
T.Jin,
S.M.Albillos,
F.Guo,
A.Howard,
T.J.Fu,
M.H.Kothary,
Y.Z.Zhang.
Crystal Structure of Prunin-1, A Major Component of the Almond (Prunus Dulcis) Allergen Amandin. J.Agric.Food Chem. V. 57 8643 2009.
ISSN: ISSN 0021-8561
PubMed: 19694440
DOI: 10.1021/JF9017355
Page generated: Mon Oct 7 09:51:57 2024
|