Magnesium in PDB 2vpn: High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Protein crystallography data
The structure of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata, PDB code: 2vpn
was solved by
S.I.Kuhlmann,
A.C.Terwisscha Van Scheltinga,
R.Bienert,
H.J.Kunte,
C.Ziegler,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
1.55
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
48.300,
52.200,
63.500,
80.80,
85.80,
77.90
|
R / Rfree (%)
|
15.8 /
20.4
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
(pdb code 2vpn). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata, PDB code: 2vpn:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 2vpn
Go back to
Magnesium Binding Sites List in 2vpn
Magnesium binding site 1 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1312
b:25.5
occ:1.00
|
O
|
A:HOH2152
|
2.0
|
27.4
|
1.0
|
O
|
A:HOH2150
|
2.1
|
32.0
|
1.0
|
ND2
|
A:ASN140
|
2.1
|
16.3
|
0.8
|
CG
|
A:ASN140
|
3.4
|
19.4
|
0.8
|
O
|
A:HOH2154
|
3.7
|
32.9
|
1.0
|
OD1
|
A:ASN140
|
3.9
|
25.0
|
0.8
|
O
|
A:HOH2165
|
4.1
|
20.6
|
1.0
|
CB
|
A:ASN140
|
4.3
|
17.4
|
0.2
|
O
|
A:HOH2061
|
4.3
|
22.2
|
1.0
|
O
|
A:HOH2151
|
4.3
|
16.2
|
1.0
|
OD1
|
A:ASP139
|
4.4
|
23.8
|
1.0
|
O
|
A:HOH2060
|
4.5
|
37.0
|
1.0
|
CB
|
A:ASN140
|
4.6
|
19.2
|
0.8
|
CA
|
A:ASN140
|
4.7
|
16.6
|
0.2
|
CA
|
A:ASN140
|
4.7
|
17.1
|
0.8
|
N
|
A:ASN140
|
4.8
|
17.5
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 2vpn
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Magnesium Binding Sites List in 2vpn
Magnesium binding site 2 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1313
b:14.3
occ:1.00
|
O
|
A:HOH2265
|
2.1
|
14.0
|
1.0
|
O
|
A:HOH2106
|
2.1
|
14.3
|
1.0
|
O
|
A:HOH2108
|
2.1
|
14.2
|
1.0
|
O
|
A:HOH2264
|
2.1
|
12.8
|
1.0
|
O
|
A:HOH2262
|
2.1
|
13.9
|
1.0
|
O
|
B:HOH2090
|
2.2
|
14.7
|
1.0
|
O
|
A:ALA259
|
4.1
|
15.8
|
1.0
|
O
|
A:ALA260
|
4.2
|
14.4
|
1.0
|
O
|
B:ILE56
|
4.2
|
11.1
|
1.0
|
O
|
A:HOH2270
|
4.2
|
23.4
|
1.0
|
O
|
B:HOH2093
|
4.2
|
10.0
|
1.0
|
O
|
A:HOH2268
|
4.2
|
17.3
|
1.0
|
O
|
A:HOH2107
|
4.4
|
23.5
|
1.0
|
O
|
B:HOH2092
|
4.5
|
37.9
|
1.0
|
O
|
A:HOH2269
|
4.5
|
13.9
|
1.0
|
NH1
|
B:ARG4
|
4.6
|
14.5
|
1.0
|
O
|
B:GLY55
|
4.7
|
15.2
|
1.0
|
C
|
A:ALA260
|
4.7
|
14.2
|
1.0
|
CA
|
B:ILE56
|
4.8
|
12.7
|
1.0
|
NE2
|
B:GLN58
|
4.9
|
11.3
|
1.0
|
C
|
B:ILE56
|
5.0
|
11.3
|
1.0
|
CA
|
A:ALA260
|
5.0
|
13.6
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 2vpn
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Magnesium Binding Sites List in 2vpn
Magnesium binding site 3 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1314
b:34.6
occ:1.00
|
O
|
A:HOH2258
|
2.0
|
23.8
|
1.0
|
O
|
B:HOH2062
|
2.1
|
24.6
|
1.0
|
O
|
A:HOH2254
|
2.2
|
22.2
|
1.0
|
OE1
|
B:GLN35
|
4.0
|
21.1
|
1.0
|
O
|
B:HOH2063
|
4.0
|
41.8
|
1.0
|
OE1
|
A:GLU255
|
4.1
|
23.6
|
1.0
|
O
|
B:HOH2007
|
4.1
|
18.2
|
1.0
|
O
|
A:HOH2256
|
4.2
|
41.7
|
1.0
|
OE2
|
A:GLU255
|
4.2
|
27.4
|
1.0
|
CD
|
A:GLU255
|
4.6
|
22.3
|
1.0
|
O
|
A:HOH2257
|
4.7
|
11.7
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 2vpn
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Magnesium Binding Sites List in 2vpn
Magnesium binding site 4 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1315
b:26.2
occ:1.00
|
O
|
A:HOH2141
|
1.9
|
24.3
|
1.0
|
O
|
A:HOH2143
|
2.1
|
33.7
|
1.0
|
O
|
A:HOH2145
|
2.1
|
27.1
|
1.0
|
O
|
A:HOH2147
|
2.2
|
27.9
|
1.0
|
O
|
A:HOH2148
|
4.1
|
39.2
|
1.0
|
O
|
A:GLU136
|
4.2
|
17.6
|
1.0
|
O
|
A:ASP137
|
4.2
|
14.3
|
1.0
|
NZ
|
A:LYS141
|
4.3
|
20.7
|
0.5
|
O
|
A:ASP139
|
4.4
|
15.2
|
1.0
|
OE2
|
A:GLU130
|
4.4
|
28.4
|
1.0
|
CA
|
A:ASP137
|
4.5
|
13.7
|
1.0
|
OE1
|
A:GLU130
|
4.5
|
31.2
|
1.0
|
C
|
A:ASP137
|
4.7
|
13.3
|
1.0
|
OD1
|
A:ASP137
|
4.8
|
20.9
|
1.0
|
CD
|
A:GLU130
|
4.8
|
24.5
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 2vpn
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Magnesium Binding Sites List in 2vpn
Magnesium binding site 5 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1312
b:32.6
occ:1.00
|
O
|
B:HOH2059
|
2.0
|
19.8
|
1.0
|
O
|
B:HOH2043
|
2.3
|
36.8
|
1.0
|
O
|
B:GLU27
|
2.4
|
18.7
|
1.0
|
O
|
B:SER30
|
2.4
|
18.9
|
1.0
|
O
|
B:HOH2040
|
2.4
|
32.3
|
1.0
|
O
|
B:HOH2054
|
2.7
|
45.0
|
1.0
|
C
|
B:GLU27
|
3.4
|
18.1
|
1.0
|
C
|
B:SER30
|
3.5
|
18.0
|
1.0
|
O
|
B:HOH2019
|
3.9
|
37.5
|
1.0
|
CA
|
B:GLU27
|
4.0
|
16.9
|
1.0
|
CA
|
B:ASP31
|
4.0
|
19.1
|
1.0
|
N
|
B:ASP31
|
4.2
|
18.5
|
1.0
|
O
|
B:HOH2045
|
4.4
|
38.2
|
1.0
|
OD1
|
B:ASP31
|
4.5
|
26.9
|
0.5
|
O
|
B:HOH2056
|
4.5
|
41.4
|
1.0
|
O
|
B:HIS32
|
4.5
|
16.9
|
1.0
|
CB
|
B:GLU27
|
4.5
|
16.2
|
1.0
|
C
|
B:ASP31
|
4.6
|
18.7
|
1.0
|
N
|
B:ASP28
|
4.6
|
17.4
|
1.0
|
N
|
B:SER30
|
4.6
|
19.4
|
1.0
|
CA
|
B:SER30
|
4.7
|
19.1
|
1.0
|
CA
|
B:ASP28
|
4.9
|
19.3
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 2vpn
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Magnesium Binding Sites List in 2vpn
Magnesium binding site 6 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1313
b:30.8
occ:1.00
|
O
|
B:HOH2123
|
1.9
|
32.4
|
1.0
|
O
|
B:HOH2127
|
2.0
|
41.4
|
1.0
|
O
|
B:HOH2274
|
2.0
|
17.5
|
1.0
|
O
|
B:HOH2272
|
2.0
|
20.8
|
1.0
|
O
|
B:HOH2291
|
2.1
|
33.0
|
1.0
|
O
|
B:HOH2280
|
2.5
|
41.3
|
1.0
|
O
|
B:LYS247
|
3.9
|
13.5
|
1.0
|
O
|
B:HIS245
|
4.0
|
10.8
|
1.0
|
O
|
B:HOH2294
|
4.2
|
21.3
|
1.0
|
O
|
B:HOH2275
|
4.3
|
29.5
|
1.0
|
OE1
|
B:GLU252
|
4.6
|
25.6
|
1.0
|
O
|
B:GLU244
|
4.8
|
12.8
|
1.0
|
O
|
B:HOH2270
|
4.8
|
42.6
|
1.0
|
C
|
B:HIS245
|
4.9
|
9.7
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 2vpn
Go back to
Magnesium Binding Sites List in 2vpn
Magnesium binding site 7 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1314
b:35.8
occ:1.00
|
O
|
B:HOH2074
|
2.0
|
34.4
|
1.0
|
O
|
B:HOH2185
|
2.2
|
29.1
|
1.0
|
O
|
B:HOH2180
|
2.2
|
25.6
|
1.0
|
O
|
B:HOH2087
|
3.7
|
36.2
|
1.0
|
OD2
|
B:ASP137
|
4.1
|
17.9
|
1.0
|
O
|
B:PRO131
|
4.2
|
17.6
|
1.0
|
O
|
B:HOH2137
|
4.2
|
35.9
|
1.0
|
OD1
|
B:ASP137
|
4.3
|
20.8
|
1.0
|
OE1
|
B:GLU130
|
4.4
|
31.1
|
1.0
|
CG
|
B:ASP137
|
4.5
|
17.1
|
1.0
|
OG1
|
B:THR133
|
4.8
|
25.5
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 2vpn
Go back to
Magnesium Binding Sites List in 2vpn
Magnesium binding site 8 out
of 8 in the High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of High-Resolution Structure of the Periplasmic Ectoine- Binding Protein From Teaabc Trap-Transporter of Halomonas Elongata within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1315
b:35.9
occ:1.00
|
O
|
B:HOH2085
|
2.0
|
35.4
|
1.0
|
O
|
B:HOH2179
|
2.0
|
28.3
|
1.0
|
O
|
B:HOH2183
|
2.3
|
26.3
|
1.0
|
O
|
B:HOH2186
|
2.3
|
23.0
|
1.0
|
OE2
|
B:GLU130
|
4.0
|
29.5
|
1.0
|
OE1
|
B:GLU130
|
4.2
|
31.1
|
1.0
|
O
|
B:ASP137
|
4.3
|
14.6
|
1.0
|
CD
|
B:GLU130
|
4.5
|
24.6
|
1.0
|
O
|
B:GLU136
|
4.5
|
17.4
|
1.0
|
CA
|
B:ASP137
|
4.6
|
13.5
|
1.0
|
OD1
|
B:ASP137
|
4.7
|
20.8
|
1.0
|
C
|
B:ASP137
|
4.8
|
13.2
|
1.0
|
O
|
B:ASP139
|
4.9
|
15.9
|
1.0
|
CE
|
B:LYS141
|
5.0
|
21.6
|
1.0
|
|
Reference:
S.I.Kuhlmann,
A.C.Terwisscha Van Scheltinga,
R.Bienert,
H.J.Kunte,
C.Ziegler.
1.55 A Structure of the Ectoine Binding Protein Teaa of the Osmoregulated Trap-Transporter Teaabc From Halomonas Elongata. Biochemistry V. 47 9475 2008.
ISSN: ISSN 0006-2960
PubMed: 18702523
DOI: 10.1021/BI8006719
Page generated: Wed Aug 14 05:17:52 2024
|