Sodium in PDB 4gy9: Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
Protein crystallography data
The structure of Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP), PDB code: 4gy9
was solved by
M.Ruszkowski,
M.Sikorski,
M.Jaskolski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.30 /
2.04
|
Space group
|
P 62 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
96.596,
96.596,
112.031,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
16.5 /
19.8
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
(pdb code 4gy9). 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 Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP), PDB code: 4gy9:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
Sodium binding site 1 out
of 6 in 4gy9
Go back to
Sodium Binding Sites List in 4gy9
Sodium binding site 1 out
of 6 in the Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
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 Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na202
b:37.2
occ:1.00
|
OG1
|
A:THR66
|
2.2
|
27.1
|
1.0
|
O
|
A:SER65
|
2.3
|
21.5
|
1.0
|
O
|
A:HOH407
|
2.4
|
41.4
|
1.0
|
O
|
A:HOH416
|
2.4
|
41.5
|
1.0
|
C
|
A:SER65
|
3.1
|
21.4
|
1.0
|
CB
|
A:THR66
|
3.4
|
22.9
|
1.0
|
CA
|
A:THR66
|
3.6
|
19.4
|
1.0
|
N
|
A:THR66
|
3.7
|
20.3
|
1.0
|
N
|
A:SER65
|
3.9
|
21.1
|
1.0
|
CA
|
A:SER65
|
4.1
|
23.3
|
1.0
|
NA
|
A:NA206
|
4.2
|
53.1
|
1.0
|
CG2
|
A:THR66
|
4.2
|
26.2
|
1.0
|
O
|
A:HOH417
|
4.3
|
56.0
|
1.0
|
O
|
A:HOH329
|
4.4
|
41.3
|
1.0
|
CE2
|
A:PHE59
|
4.9
|
25.2
|
1.0
|
O
|
A:GLU86
|
4.9
|
22.0
|
1.0
|
O
|
A:HOH361
|
4.9
|
34.7
|
1.0
|
C
|
A:GLY64
|
4.9
|
23.6
|
1.0
|
O
|
A:HOH377
|
4.9
|
26.4
|
1.0
|
|
Sodium binding site 2 out
of 6 in 4gy9
Go back to
Sodium Binding Sites List in 4gy9
Sodium binding site 2 out
of 6 in the Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
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 Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na203
b:27.8
occ:1.00
|
O
|
A:HOH302
|
2.3
|
24.5
|
1.0
|
O
|
A:HOH358
|
2.4
|
26.7
|
0.8
|
O
|
A:PHE59
|
2.4
|
23.8
|
1.0
|
O
|
A:HOH366
|
2.4
|
31.7
|
1.0
|
O
|
A:GLY61
|
2.5
|
24.2
|
1.0
|
O
|
A:HOH367
|
2.6
|
39.6
|
1.0
|
N
|
A:GLY61
|
3.4
|
27.7
|
1.0
|
C
|
A:GLY61
|
3.5
|
30.6
|
1.0
|
C
|
A:PHE59
|
3.6
|
24.2
|
1.0
|
C
|
A:VAL60
|
3.9
|
22.6
|
1.0
|
CA
|
A:GLY61
|
4.0
|
30.3
|
1.0
|
CA
|
A:VAL60
|
4.1
|
23.4
|
1.0
|
CG2
|
A:THR58
|
4.2
|
28.6
|
1.0
|
N
|
A:VAL60
|
4.3
|
23.7
|
1.0
|
O
|
A:GLY64
|
4.4
|
23.0
|
1.0
|
OE1
|
A:GLU40
|
4.5
|
46.2
|
1.0
|
N
|
A:PHE59
|
4.6
|
21.4
|
1.0
|
O
|
A:HOH340
|
4.6
|
51.4
|
1.0
|
CA
|
A:PHE59
|
4.7
|
21.1
|
1.0
|
N
|
A:ASP62
|
4.7
|
25.0
|
1.0
|
O
|
A:VAL60
|
4.7
|
25.8
|
1.0
|
OE2
|
A:GLU40
|
4.8
|
41.0
|
1.0
|
CD
|
A:GLU40
|
4.8
|
44.6
|
1.0
|
N
|
A:PHE63
|
4.9
|
24.1
|
1.0
|
N
|
A:GLY64
|
4.9
|
22.9
|
1.0
|
|
Sodium binding site 3 out
of 6 in 4gy9
Go back to
Sodium Binding Sites List in 4gy9
Sodium binding site 3 out
of 6 in the Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
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 Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na204
b:59.5
occ:1.00
|
O
|
A:HOH350
|
2.4
|
50.4
|
1.0
|
O
|
A:HOH319
|
2.4
|
36.2
|
1.0
|
O
|
A:HOH354
|
2.4
|
51.6
|
1.0
|
O
|
A:HOH345
|
2.5
|
52.6
|
1.0
|
O
|
A:ALA34
|
2.5
|
31.7
|
1.0
|
O
|
A:HOH347
|
2.6
|
45.9
|
1.0
|
C
|
A:ALA34
|
3.6
|
32.3
|
1.0
|
O
|
A:HOH432
|
3.8
|
61.4
|
1.0
|
O
|
A:HOH373
|
4.0
|
56.1
|
1.0
|
CD
|
A:PRO36
|
4.3
|
29.8
|
1.0
|
CA
|
A:ALA34
|
4.4
|
32.9
|
1.0
|
N
|
A:LEU35
|
4.6
|
30.6
|
1.0
|
O
|
A:LYS33
|
4.8
|
33.1
|
1.0
|
CA
|
A:LEU35
|
4.8
|
28.6
|
1.0
|
CB
|
A:ALA147
|
4.9
|
29.3
|
1.0
|
O
|
A:ALA147
|
4.9
|
30.1
|
1.0
|
CD2
|
A:LEU35
|
4.9
|
36.9
|
1.0
|
O
|
A:HOH425
|
5.0
|
26.0
|
1.0
|
|
Sodium binding site 4 out
of 6 in 4gy9
Go back to
Sodium Binding Sites List in 4gy9
Sodium binding site 4 out
of 6 in the Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
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 Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na205
b:51.5
occ:1.00
|
O
|
A:THR0
|
2.3
|
22.3
|
1.0
|
O
|
A:HOH370
|
2.5
|
41.3
|
1.0
|
O
|
A:HOH440
|
2.5
|
51.6
|
1.0
|
O
|
A:HOH404
|
2.5
|
44.4
|
1.0
|
O
|
A:GLY124
|
2.6
|
51.5
|
1.0
|
N
|
A:GLY124
|
3.5
|
50.3
|
1.0
|
C
|
A:GLY124
|
3.5
|
57.7
|
1.0
|
C
|
A:THR0
|
3.5
|
25.2
|
1.0
|
N
|
A:THR0
|
3.9
|
25.2
|
1.0
|
CA
|
A:GLY124
|
3.9
|
56.4
|
1.0
|
CE1
|
A:PHE-1
|
4.0
|
43.7
|
1.0
|
CA
|
A:THR0
|
4.2
|
24.4
|
1.0
|
O
|
A:HOH365
|
4.2
|
60.1
|
1.0
|
OD1
|
A:ASP125
|
4.3
|
67.1
|
1.0
|
CD1
|
A:PHE-1
|
4.3
|
41.6
|
1.0
|
CZ
|
A:PHE-1
|
4.4
|
40.4
|
1.0
|
C
|
A:LYS123
|
4.5
|
52.6
|
1.0
|
N
|
A:MET1
|
4.5
|
25.4
|
1.0
|
N
|
A:ASP125
|
4.6
|
53.3
|
1.0
|
CB
|
A:THR0
|
4.6
|
29.7
|
1.0
|
O
|
A:HOH408
|
4.6
|
42.4
|
1.0
|
CA
|
A:MET1
|
4.7
|
24.7
|
1.0
|
O
|
A:THR122
|
4.9
|
40.9
|
1.0
|
CA
|
A:LYS123
|
4.9
|
48.6
|
1.0
|
O
|
A:HOH433
|
4.9
|
48.5
|
1.0
|
CA
|
A:ASP125
|
5.0
|
57.2
|
1.0
|
C
|
A:PHE-1
|
5.0
|
27.9
|
1.0
|
CG
|
A:PHE-1
|
5.0
|
34.6
|
1.0
|
|
Sodium binding site 5 out
of 6 in 4gy9
Go back to
Sodium Binding Sites List in 4gy9
Sodium binding site 5 out
of 6 in the Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
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 Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na206
b:53.1
occ:1.00
|
O
|
A:HOH323
|
2.4
|
27.4
|
0.8
|
O
|
A:HOH329
|
2.5
|
41.3
|
1.0
|
O
|
A:SER65
|
2.5
|
21.5
|
1.0
|
OG
|
A:SER65
|
2.6
|
29.5
|
1.0
|
C
|
A:SER65
|
3.2
|
21.4
|
1.0
|
CB
|
A:SER65
|
3.7
|
26.8
|
1.0
|
N
|
A:SER65
|
3.7
|
21.1
|
1.0
|
O
|
A:HOH332
|
3.8
|
56.0
|
1.0
|
CA
|
A:SER65
|
3.8
|
23.3
|
1.0
|
N
|
A:THR66
|
4.1
|
20.3
|
1.0
|
NA
|
A:NA202
|
4.2
|
37.2
|
1.0
|
O
|
A:HOH361
|
4.2
|
34.7
|
1.0
|
O
|
A:HOH407
|
4.3
|
41.4
|
1.0
|
O
|
A:HOH429
|
4.3
|
58.1
|
1.0
|
O
|
A:HOH416
|
4.4
|
41.5
|
1.0
|
CA
|
A:THR66
|
4.5
|
19.4
|
1.0
|
C
|
A:GLY64
|
4.9
|
23.6
|
1.0
|
|
Sodium binding site 6 out
of 6 in 4gy9
Go back to
Sodium Binding Sites List in 4gy9
Sodium binding site 6 out
of 6 in the Crystal Structure of Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP)
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 Medicago Truncatula Nodulin 13 (MTN13) in Complex with N6-Isopentenyladenine (2IP) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na207
b:61.3
occ:1.00
|
O
|
A:GLU110
|
2.3
|
64.9
|
1.0
|
O
|
A:HOH413
|
2.4
|
48.5
|
1.0
|
O
|
A:HOH435
|
2.4
|
55.6
|
1.0
|
O
|
A:THR107
|
2.4
|
55.8
|
1.0
|
O
|
A:GLY111
|
2.6
|
34.9
|
1.0
|
C
|
A:GLU110
|
3.3
|
62.5
|
1.0
|
C
|
A:GLY111
|
3.3
|
44.7
|
1.0
|
CA
|
A:GLY111
|
3.3
|
57.0
|
1.0
|
C
|
A:THR107
|
3.6
|
56.6
|
1.0
|
N
|
A:GLY111
|
3.7
|
67.3
|
1.0
|
O
|
A:HOH318
|
3.8
|
38.6
|
1.0
|
N
|
A:THR107
|
4.0
|
41.4
|
1.0
|
O
|
A:PRO108
|
4.2
|
73.5
|
1.0
|
CG2
|
A:THR107
|
4.3
|
62.0
|
1.0
|
CA
|
A:THR107
|
4.4
|
50.4
|
1.0
|
C
|
A:PRO108
|
4.5
|
71.9
|
1.0
|
CA
|
A:GLU110
|
4.6
|
66.9
|
1.0
|
N
|
A:CYS112
|
4.6
|
36.6
|
1.0
|
N
|
A:PRO108
|
4.6
|
61.1
|
1.0
|
CA
|
A:PRO108
|
4.6
|
66.9
|
1.0
|
N
|
A:GLU110
|
4.7
|
69.9
|
1.0
|
O
|
A:HOH420
|
4.8
|
55.1
|
1.0
|
C
|
A:PRO106
|
5.0
|
41.6
|
1.0
|
|
Reference:
M.Ruszkowski,
K.Szpotkowski,
M.Sikorski,
M.Jaskolski.
The Landscape of Cytokinin Binding By A Plant Nodulin. Acta Crystallogr.,Sect.D V. 69 2365 2013.
ISSN: ISSN 0907-4449
PubMed: 24311578
DOI: 10.1107/S0907444913021975
Page generated: Mon Oct 7 15:41:57 2024
|