Magnesium in PDB 3c9u: Aathil Complexed with Adp and Tpp
Enzymatic activity of Aathil Complexed with Adp and Tpp
All present enzymatic activity of Aathil Complexed with Adp and Tpp:
2.7.4.16;
Protein crystallography data
The structure of Aathil Complexed with Adp and Tpp, PDB code: 3c9u
was solved by
K.M.Mcculloch,
C.Kinsland,
T.P.Begley,
S.E.Ealick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.52 /
1.48
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.573,
66.221,
196.990,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
20.1 /
21.9
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Aathil Complexed with Adp and Tpp
(pdb code 3c9u). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the
Aathil Complexed with Adp and Tpp, PDB code: 3c9u:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 1 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg309
b:10.9
occ:1.00
|
O2B
|
B:ADP307
|
2.0
|
19.0
|
1.0
|
|
OD1
|
A:ASP207
|
2.1
|
16.6
|
1.0
|
|
OD1
|
A:ASP27
|
2.2
|
17.0
|
1.0
|
|
O
|
A:HOH340
|
2.3
|
18.3
|
1.0
|
|
OD1
|
A:ASP71
|
2.4
|
14.5
|
1.0
|
|
CG
|
A:ASP207
|
3.2
|
14.8
|
1.0
|
|
CG
|
A:ASP27
|
3.3
|
16.1
|
1.0
|
|
CG
|
A:ASP71
|
3.5
|
16.0
|
1.0
|
|
PB
|
B:ADP307
|
3.6
|
15.0
|
1.0
|
|
MG
|
A:MG313
|
3.6
|
7.9
|
1.0
|
|
NH2
|
A:ARG142
|
3.6
|
17.1
|
1.0
|
|
OD2
|
A:ASP207
|
3.7
|
15.9
|
1.0
|
|
CB
|
A:ASP27
|
3.7
|
14.6
|
1.0
|
|
OD2
|
A:ASP71
|
4.0
|
14.7
|
1.0
|
|
O3B
|
B:ADP307
|
4.0
|
15.2
|
1.0
|
|
O
|
A:ASP207
|
4.0
|
15.4
|
1.0
|
|
O
|
A:HOH319
|
4.2
|
13.8
|
1.0
|
|
CA
|
A:ASP27
|
4.3
|
13.4
|
1.0
|
|
N
|
A:ASP207
|
4.3
|
15.1
|
1.0
|
|
OD2
|
A:ASP27
|
4.4
|
16.2
|
1.0
|
|
O1B
|
B:ADP307
|
4.4
|
14.5
|
1.0
|
|
O
|
A:HOH458
|
4.4
|
27.3
|
1.0
|
|
O3A
|
B:ADP307
|
4.4
|
13.2
|
1.0
|
|
CB
|
A:ASP207
|
4.5
|
14.5
|
1.0
|
|
OG
|
A:SER209
|
4.5
|
17.2
|
1.0
|
|
C
|
A:ASP207
|
4.6
|
13.7
|
1.0
|
|
CB
|
A:ASP71
|
4.7
|
13.2
|
1.0
|
|
CA
|
A:ASP207
|
4.7
|
15.0
|
1.0
|
|
CA
|
A:ASP71
|
4.7
|
12.1
|
1.0
|
|
CZ
|
A:ARG142
|
4.9
|
15.6
|
1.0
|
|
O1B
|
A:TPP308
|
4.9
|
15.8
|
1.0
|
|
Magnesium binding site 2 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 2 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg310
b:8.1
occ:1.00
|
O1B
|
B:ADP307
|
2.2
|
14.5
|
1.0
|
|
O
|
A:ASP27
|
2.4
|
14.4
|
1.0
|
|
OG1
|
A:THR41
|
2.5
|
13.0
|
1.0
|
|
O
|
A:HOH331
|
2.5
|
14.1
|
1.0
|
|
OD2
|
A:ASP71
|
2.5
|
14.7
|
1.0
|
|
O
|
B:HOH313
|
2.6
|
14.4
|
1.0
|
|
O
|
A:HOH323
|
2.6
|
18.0
|
1.0
|
|
C
|
A:ASP27
|
3.3
|
13.4
|
1.0
|
|
PB
|
B:ADP307
|
3.4
|
15.0
|
1.0
|
|
CG
|
A:ASP71
|
3.5
|
16.0
|
1.0
|
|
CB
|
A:THR41
|
3.6
|
14.0
|
1.0
|
|
O3B
|
B:ADP307
|
3.7
|
15.2
|
1.0
|
|
CA
|
A:ASP27
|
4.0
|
13.4
|
1.0
|
|
O
|
A:HOH317
|
4.1
|
13.6
|
1.0
|
|
CB
|
A:ASP71
|
4.1
|
13.2
|
1.0
|
|
O2B
|
B:ADP307
|
4.2
|
19.0
|
1.0
|
|
N
|
A:THR42
|
4.3
|
12.4
|
1.0
|
|
OD1
|
A:ASP71
|
4.3
|
14.5
|
1.0
|
|
CA
|
A:THR41
|
4.3
|
13.3
|
1.0
|
|
N
|
A:THR28
|
4.3
|
14.1
|
1.0
|
|
O
|
A:THR42
|
4.3
|
13.3
|
1.0
|
|
MG
|
A:MG313
|
4.5
|
7.9
|
1.0
|
|
O
|
A:ASP26
|
4.5
|
13.4
|
1.0
|
|
O
|
A:HOH318
|
4.5
|
14.4
|
1.0
|
|
O2'
|
B:ADP307
|
4.5
|
14.6
|
1.0
|
|
CA
|
A:THR28
|
4.6
|
13.6
|
1.0
|
|
MG
|
A:MG311
|
4.7
|
9.5
|
1.0
|
|
OD1
|
A:ASP43
|
4.7
|
18.7
|
1.0
|
|
OD2
|
A:ASP43
|
4.7
|
17.8
|
1.0
|
|
O3A
|
B:ADP307
|
4.7
|
13.2
|
1.0
|
|
O
|
B:GLY118
|
4.8
|
13.9
|
1.0
|
|
C2'
|
B:ADP307
|
4.8
|
13.8
|
1.0
|
|
CG2
|
A:THR41
|
4.8
|
13.2
|
1.0
|
|
C
|
A:THR41
|
4.8
|
12.7
|
1.0
|
|
CB
|
A:ASP27
|
4.9
|
14.6
|
1.0
|
|
CG
|
A:ASP43
|
5.0
|
16.6
|
1.0
|
|
C
|
A:THR42
|
5.0
|
13.5
|
1.0
|
|
C3'
|
B:ADP307
|
5.0
|
13.9
|
1.0
|
|
Magnesium binding site 3 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 3 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg311
b:9.5
occ:1.00
|
ND2
|
B:ASN119
|
2.2
|
12.2
|
1.0
|
|
O3B
|
A:TPP308
|
2.3
|
20.0
|
1.0
|
|
O3B
|
B:ADP307
|
2.3
|
15.2
|
1.0
|
|
O2A
|
B:ADP307
|
2.3
|
14.4
|
1.0
|
|
OD2
|
A:ASP43
|
2.5
|
17.8
|
1.0
|
|
O
|
A:HOH323
|
2.6
|
18.0
|
1.0
|
|
O
|
A:HOH463
|
3.2
|
33.0
|
1.0
|
|
PB
|
A:TPP308
|
3.5
|
16.5
|
1.0
|
|
PB
|
B:ADP307
|
3.5
|
15.0
|
1.0
|
|
CG
|
B:ASN119
|
3.5
|
14.4
|
1.0
|
|
O1B
|
A:TPP308
|
3.5
|
15.8
|
1.0
|
|
PA
|
B:ADP307
|
3.6
|
13.7
|
1.0
|
|
CG
|
A:ASP43
|
3.7
|
16.6
|
1.0
|
|
MG
|
A:MG313
|
3.7
|
7.9
|
1.0
|
|
O3A
|
B:ADP307
|
3.9
|
13.2
|
1.0
|
|
O
|
A:HOH334
|
3.9
|
17.0
|
1.0
|
|
O1B
|
B:ADP307
|
4.1
|
14.5
|
1.0
|
|
O
|
A:THR42
|
4.1
|
13.3
|
1.0
|
|
O
|
A:HOH515
|
4.1
|
39.5
|
1.0
|
|
O
|
B:HOH325
|
4.1
|
16.7
|
1.0
|
|
OD1
|
A:ASP43
|
4.3
|
18.7
|
1.0
|
|
OD1
|
B:ASN119
|
4.3
|
16.7
|
1.0
|
|
CB
|
B:ASN119
|
4.4
|
14.0
|
1.0
|
|
O3A
|
A:TPP308
|
4.4
|
13.9
|
1.0
|
|
O5'
|
B:ADP307
|
4.5
|
14.0
|
1.0
|
|
O2B
|
A:TPP308
|
4.6
|
18.7
|
1.0
|
|
O1A
|
B:ADP307
|
4.6
|
16.4
|
1.0
|
|
MG
|
A:MG310
|
4.7
|
8.1
|
1.0
|
|
O
|
B:HOH418
|
4.7
|
32.3
|
1.0
|
|
OD2
|
A:ASP71
|
4.7
|
14.7
|
1.0
|
|
CB
|
A:ASP43
|
4.7
|
14.7
|
1.0
|
|
CA
|
A:ASP43
|
4.8
|
14.1
|
1.0
|
|
CA
|
B:ASN119
|
4.8
|
13.1
|
1.0
|
|
O2B
|
B:ADP307
|
4.8
|
19.0
|
1.0
|
|
O
|
B:GLY118
|
4.9
|
13.9
|
1.0
|
|
Magnesium binding site 4 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 4 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg312
b:11.1
occ:1.00
|
O2A
|
A:TPP308
|
2.3
|
15.6
|
1.0
|
|
O2B
|
A:TPP308
|
2.4
|
18.7
|
1.0
|
|
OD2
|
A:ASP210
|
2.5
|
18.7
|
1.0
|
|
O
|
A:HOH332
|
2.5
|
17.9
|
1.0
|
|
OD1
|
A:ASP210
|
2.5
|
17.8
|
1.0
|
|
O
|
A:HOH515
|
2.5
|
39.5
|
1.0
|
|
O
|
B:HOH418
|
2.7
|
32.3
|
1.0
|
|
CG
|
A:ASP210
|
2.8
|
18.3
|
1.0
|
|
O3B
|
A:TPP308
|
3.3
|
20.0
|
1.0
|
|
PB
|
A:TPP308
|
3.4
|
16.5
|
1.0
|
|
PA
|
A:TPP308
|
3.6
|
15.1
|
1.0
|
|
O3A
|
A:TPP308
|
3.9
|
13.9
|
1.0
|
|
O
|
A:HOH463
|
4.0
|
33.0
|
1.0
|
|
C7
|
A:TPP308
|
4.3
|
17.8
|
1.0
|
|
CB
|
A:ASP210
|
4.3
|
18.2
|
1.0
|
|
OE2
|
A:GLU8
|
4.5
|
23.1
|
1.0
|
|
O7
|
A:TPP308
|
4.5
|
17.3
|
1.0
|
|
OG
|
A:SER209
|
4.5
|
17.2
|
1.0
|
|
CD1
|
A:TRP303
|
4.5
|
23.0
|
1.0
|
|
CE1
|
A:HIS305
|
4.5
|
18.4
|
1.0
|
|
OE1
|
A:GLU8
|
4.6
|
21.8
|
1.0
|
|
O1A
|
B:ADP307
|
4.7
|
16.4
|
1.0
|
|
O1B
|
A:TPP308
|
4.7
|
15.8
|
1.0
|
|
O
|
A:TRP303
|
4.7
|
26.6
|
1.0
|
|
O1A
|
A:TPP308
|
4.7
|
16.3
|
1.0
|
|
ND1
|
A:HIS305
|
4.8
|
21.2
|
1.0
|
|
O
|
A:HOH354
|
4.8
|
19.3
|
1.0
|
|
CZ
|
A:PHE9
|
4.9
|
18.9
|
1.0
|
|
O
|
A:HOH458
|
4.9
|
27.3
|
1.0
|
|
CD
|
A:GLU8
|
4.9
|
22.9
|
1.0
|
|
Magnesium binding site 5 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 5 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg313
b:7.9
occ:1.00
|
O1B
|
A:TPP308
|
2.2
|
15.8
|
1.0
|
|
O3B
|
B:ADP307
|
2.4
|
15.2
|
1.0
|
|
OD1
|
A:ASP43
|
2.4
|
18.7
|
1.0
|
|
O
|
A:HOH319
|
2.5
|
13.8
|
1.0
|
|
O
|
A:HOH340
|
2.5
|
18.3
|
1.0
|
|
OD2
|
A:ASP71
|
2.6
|
14.7
|
1.0
|
|
OD1
|
A:ASP71
|
2.9
|
14.5
|
1.0
|
|
OD2
|
A:ASP43
|
2.9
|
17.8
|
1.0
|
|
CG
|
A:ASP71
|
3.0
|
16.0
|
1.0
|
|
CG
|
A:ASP43
|
3.0
|
16.6
|
1.0
|
|
O2B
|
B:ADP307
|
3.4
|
19.0
|
1.0
|
|
PB
|
B:ADP307
|
3.5
|
15.0
|
1.0
|
|
PB
|
A:TPP308
|
3.6
|
16.5
|
1.0
|
|
MG
|
A:MG309
|
3.6
|
10.9
|
1.0
|
|
MG
|
A:MG311
|
3.7
|
9.5
|
1.0
|
|
O
|
A:HOH330
|
4.0
|
15.4
|
1.0
|
|
O3B
|
A:TPP308
|
4.0
|
20.0
|
1.0
|
|
O1B
|
B:ADP307
|
4.2
|
14.5
|
1.0
|
|
CB
|
A:ASP71
|
4.3
|
13.2
|
1.0
|
|
O
|
A:HOH323
|
4.4
|
18.0
|
1.0
|
|
O
|
A:HOH317
|
4.4
|
13.6
|
1.0
|
|
O2B
|
A:TPP308
|
4.4
|
18.7
|
1.0
|
|
CB
|
A:ASP43
|
4.5
|
14.7
|
1.0
|
|
MG
|
A:MG310
|
4.5
|
8.1
|
1.0
|
|
OD2
|
A:ASP207
|
4.5
|
15.9
|
1.0
|
|
OG
|
A:SER209
|
4.5
|
17.2
|
1.0
|
|
O
|
A:VAL67
|
4.6
|
13.7
|
1.0
|
|
O3A
|
B:ADP307
|
4.7
|
13.2
|
1.0
|
|
O3A
|
A:TPP308
|
4.7
|
13.9
|
1.0
|
|
CG1
|
A:VAL67
|
4.8
|
23.2
|
1.0
|
|
OD1
|
A:ASP207
|
4.8
|
16.6
|
1.0
|
|
CB
|
A:SER209
|
5.0
|
17.0
|
1.0
|
|
Magnesium binding site 6 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 6 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg314
b:10.3
occ:1.00
|
O2A
|
A:ADP307
|
2.2
|
14.5
|
1.0
|
|
OD1
|
A:ASN119
|
2.3
|
15.6
|
1.0
|
|
O1B
|
A:ADP307
|
2.3
|
15.0
|
1.0
|
|
O2B
|
B:TPP308
|
2.4
|
19.3
|
1.0
|
|
OD2
|
B:ASP43
|
2.4
|
17.8
|
1.0
|
|
O
|
B:HOH335
|
2.7
|
16.8
|
1.0
|
|
PB
|
B:TPP308
|
3.4
|
15.0
|
1.0
|
|
PB
|
A:ADP307
|
3.5
|
14.9
|
1.0
|
|
CG
|
A:ASN119
|
3.5
|
14.4
|
1.0
|
|
PA
|
A:ADP307
|
3.5
|
13.9
|
1.0
|
|
O1B
|
B:TPP308
|
3.6
|
14.6
|
1.0
|
|
CG
|
B:ASP43
|
3.7
|
15.8
|
1.0
|
|
MG
|
B:MG311
|
3.7
|
7.5
|
1.0
|
|
O3A
|
A:ADP307
|
3.9
|
13.8
|
1.0
|
|
O
|
B:HOH323
|
4.0
|
16.6
|
1.0
|
|
O
|
A:HOH324
|
4.0
|
16.1
|
1.0
|
|
O
|
B:THR42
|
4.1
|
13.4
|
1.0
|
|
O2B
|
A:ADP307
|
4.1
|
16.6
|
1.0
|
|
O
|
B:HOH427
|
4.1
|
25.9
|
1.0
|
|
OD1
|
B:ASP43
|
4.4
|
19.6
|
1.0
|
|
CB
|
A:ASN119
|
4.4
|
14.8
|
1.0
|
|
ND2
|
A:ASN119
|
4.4
|
14.9
|
1.0
|
|
O3A
|
B:TPP308
|
4.4
|
14.1
|
1.0
|
|
O5'
|
A:ADP307
|
4.5
|
15.2
|
1.0
|
|
O1A
|
A:ADP307
|
4.5
|
15.9
|
1.0
|
|
MG
|
B:MG309
|
4.6
|
8.5
|
1.0
|
|
O3B
|
B:TPP308
|
4.7
|
21.2
|
1.0
|
|
OD2
|
B:ASP71
|
4.7
|
14.6
|
1.0
|
|
CB
|
B:ASP43
|
4.7
|
15.1
|
1.0
|
|
CA
|
B:ASP43
|
4.7
|
13.9
|
1.0
|
|
CA
|
A:ASN119
|
4.8
|
13.6
|
1.0
|
|
O
|
A:GLY118
|
4.8
|
13.7
|
1.0
|
|
O3B
|
A:ADP307
|
4.8
|
17.8
|
1.0
|
|
Magnesium binding site 7 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 7 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg309
b:8.5
occ:1.00
|
O2B
|
A:ADP307
|
2.3
|
16.6
|
1.0
|
|
O
|
B:ASP27
|
2.4
|
14.4
|
1.0
|
|
OG1
|
B:THR41
|
2.5
|
13.5
|
1.0
|
|
OD2
|
B:ASP71
|
2.5
|
14.6
|
1.0
|
|
O
|
B:HOH332
|
2.5
|
15.3
|
1.0
|
|
O
|
B:HOH335
|
2.6
|
16.8
|
1.0
|
|
O
|
A:HOH316
|
2.6
|
15.8
|
1.0
|
|
C
|
B:ASP27
|
3.4
|
14.5
|
1.0
|
|
PB
|
A:ADP307
|
3.4
|
14.9
|
1.0
|
|
CG
|
B:ASP71
|
3.5
|
13.1
|
1.0
|
|
O1B
|
A:ADP307
|
3.6
|
15.0
|
1.0
|
|
CB
|
B:THR41
|
3.6
|
13.0
|
1.0
|
|
CA
|
B:ASP27
|
4.1
|
15.2
|
1.0
|
|
O
|
B:HOH319
|
4.1
|
14.3
|
1.0
|
|
CB
|
B:ASP71
|
4.1
|
13.3
|
1.0
|
|
O3B
|
A:ADP307
|
4.2
|
17.8
|
1.0
|
|
O
|
B:THR42
|
4.3
|
13.4
|
1.0
|
|
N
|
B:THR42
|
4.3
|
12.9
|
1.0
|
|
OD1
|
B:ASP71
|
4.3
|
14.2
|
1.0
|
|
CA
|
B:THR41
|
4.3
|
12.6
|
1.0
|
|
N
|
B:THR28
|
4.4
|
14.4
|
1.0
|
|
MG
|
B:MG311
|
4.4
|
7.5
|
1.0
|
|
O
|
B:HOH328
|
4.5
|
15.2
|
1.0
|
|
O
|
B:ASP26
|
4.6
|
16.1
|
1.0
|
|
MG
|
A:MG314
|
4.6
|
10.3
|
1.0
|
|
OD2
|
B:ASP43
|
4.6
|
17.8
|
1.0
|
|
O2'
|
A:ADP307
|
4.6
|
14.0
|
1.0
|
|
CA
|
B:THR28
|
4.6
|
15.7
|
1.0
|
|
O3A
|
A:ADP307
|
4.7
|
13.8
|
1.0
|
|
O
|
A:GLY118
|
4.7
|
13.7
|
1.0
|
|
OD1
|
B:ASP43
|
4.7
|
19.6
|
1.0
|
|
C2'
|
A:ADP307
|
4.8
|
14.1
|
1.0
|
|
CG2
|
B:THR41
|
4.8
|
14.2
|
1.0
|
|
C
|
B:THR41
|
4.8
|
12.2
|
1.0
|
|
C
|
B:THR42
|
4.9
|
12.2
|
1.0
|
|
CG
|
B:ASP43
|
4.9
|
15.8
|
1.0
|
|
CB
|
B:ASP27
|
5.0
|
14.5
|
1.0
|
|
C3'
|
A:ADP307
|
5.0
|
15.6
|
1.0
|
|
Magnesium binding site 8 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 8 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg310
b:10.4
occ:1.00
|
O2A
|
B:TPP308
|
2.3
|
15.7
|
1.0
|
|
O3B
|
B:TPP308
|
2.3
|
21.2
|
1.0
|
|
OD2
|
B:ASP210
|
2.4
|
18.2
|
1.0
|
|
O
|
B:HOH426
|
2.4
|
17.6
|
1.0
|
|
OD1
|
B:ASP210
|
2.5
|
17.7
|
1.0
|
|
O
|
B:HOH427
|
2.5
|
25.9
|
1.0
|
|
O
|
B:HOH407
|
2.6
|
31.0
|
1.0
|
|
CG
|
B:ASP210
|
2.8
|
16.1
|
1.0
|
|
O2B
|
B:TPP308
|
3.3
|
19.3
|
1.0
|
|
PB
|
B:TPP308
|
3.3
|
15.0
|
1.0
|
|
PA
|
B:TPP308
|
3.6
|
14.2
|
1.0
|
|
O3A
|
B:TPP308
|
3.9
|
14.1
|
1.0
|
|
C7
|
B:TPP308
|
4.3
|
17.1
|
1.0
|
|
CB
|
B:ASP210
|
4.3
|
14.8
|
1.0
|
|
CE1
|
B:HIS305
|
4.5
|
17.1
|
1.0
|
|
O7
|
B:TPP308
|
4.5
|
15.5
|
1.0
|
|
OE1
|
B:GLU8
|
4.5
|
24.7
|
1.0
|
|
CD1
|
B:TRP303
|
4.5
|
21.8
|
1.0
|
|
OG
|
B:SER209
|
4.5
|
15.8
|
1.0
|
|
O1A
|
A:ADP307
|
4.6
|
15.9
|
1.0
|
|
O1A
|
B:TPP308
|
4.6
|
14.9
|
1.0
|
|
O1B
|
B:TPP308
|
4.7
|
14.6
|
1.0
|
|
ND1
|
B:HIS305
|
4.7
|
22.5
|
1.0
|
|
O
|
B:TRP303
|
4.8
|
29.3
|
1.0
|
|
O
|
B:HOH337
|
4.8
|
19.4
|
1.0
|
|
O
|
B:HOH369
|
4.9
|
25.9
|
1.0
|
|
CZ
|
B:PHE9
|
4.9
|
20.9
|
1.0
|
|
Magnesium binding site 9 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 9 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg311
b:7.5
occ:1.00
|
O1B
|
A:ADP307
|
2.4
|
15.0
|
1.0
|
|
O1B
|
B:TPP308
|
2.4
|
14.6
|
1.0
|
|
OD1
|
B:ASP43
|
2.4
|
19.6
|
1.0
|
|
O
|
B:HOH316
|
2.5
|
19.3
|
1.0
|
|
O
|
B:HOH324
|
2.5
|
14.4
|
1.0
|
|
OD2
|
B:ASP71
|
2.5
|
14.6
|
1.0
|
|
OD2
|
B:ASP43
|
2.9
|
17.8
|
1.0
|
|
OD1
|
B:ASP71
|
2.9
|
14.2
|
1.0
|
|
CG
|
B:ASP43
|
3.0
|
15.8
|
1.0
|
|
CG
|
B:ASP71
|
3.0
|
13.1
|
1.0
|
|
PB
|
A:ADP307
|
3.4
|
14.9
|
1.0
|
|
O3B
|
A:ADP307
|
3.5
|
17.8
|
1.0
|
|
PB
|
B:TPP308
|
3.6
|
15.0
|
1.0
|
|
MG
|
B:MG312
|
3.6
|
11.7
|
1.0
|
|
MG
|
A:MG314
|
3.7
|
10.3
|
1.0
|
|
O
|
B:HOH317
|
3.9
|
13.8
|
1.0
|
|
O2B
|
B:TPP308
|
4.2
|
19.3
|
1.0
|
|
CB
|
B:ASP71
|
4.3
|
13.3
|
1.0
|
|
O2B
|
A:ADP307
|
4.3
|
16.6
|
1.0
|
|
CB
|
B:ASP43
|
4.4
|
15.1
|
1.0
|
|
O
|
B:HOH319
|
4.4
|
14.3
|
1.0
|
|
MG
|
B:MG309
|
4.4
|
8.5
|
1.0
|
|
O
|
B:HOH335
|
4.5
|
16.8
|
1.0
|
|
OG
|
B:SER209
|
4.5
|
15.8
|
1.0
|
|
OD1
|
B:ASP207
|
4.5
|
15.8
|
1.0
|
|
O
|
B:VAL67
|
4.6
|
13.5
|
1.0
|
|
O3B
|
B:TPP308
|
4.7
|
21.2
|
1.0
|
|
O3A
|
B:TPP308
|
4.7
|
14.1
|
1.0
|
|
O3A
|
A:ADP307
|
4.7
|
13.8
|
1.0
|
|
OD2
|
B:ASP207
|
4.8
|
16.5
|
1.0
|
|
CB
|
B:SER209
|
4.9
|
15.6
|
1.0
|
|
Magnesium binding site 10 out
of 10 in 3c9u
Go back to
Magnesium Binding Sites List in 3c9u
Magnesium binding site 10 out
of 10 in the Aathil Complexed with Adp and Tpp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Aathil Complexed with Adp and Tpp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg312
b:11.7
occ:1.00
|
O3B
|
A:ADP307
|
2.0
|
17.8
|
1.0
|
|
OD2
|
B:ASP207
|
2.1
|
16.5
|
1.0
|
|
OD1
|
B:ASP27
|
2.3
|
16.8
|
1.0
|
|
OD1
|
B:ASP71
|
2.3
|
14.2
|
1.0
|
|
O
|
B:HOH329
|
2.3
|
17.1
|
1.0
|
|
O
|
B:HOH316
|
2.3
|
19.3
|
1.0
|
|
CG
|
B:ASP207
|
3.2
|
15.4
|
1.0
|
|
CG
|
B:ASP27
|
3.3
|
15.9
|
1.0
|
|
CG
|
B:ASP71
|
3.4
|
13.1
|
1.0
|
|
PB
|
A:ADP307
|
3.5
|
14.9
|
1.0
|
|
MG
|
B:MG311
|
3.6
|
7.5
|
1.0
|
|
OD1
|
B:ASP207
|
3.6
|
15.8
|
1.0
|
|
CB
|
B:ASP27
|
3.7
|
14.5
|
1.0
|
|
NH2
|
B:ARG142
|
3.7
|
18.8
|
1.0
|
|
OD2
|
B:ASP71
|
3.9
|
14.6
|
1.0
|
|
O1B
|
A:ADP307
|
3.9
|
15.0
|
1.0
|
|
O
|
B:ASP207
|
4.1
|
16.5
|
1.0
|
|
O
|
B:HOH324
|
4.2
|
14.4
|
1.0
|
|
CA
|
B:ASP27
|
4.2
|
15.2
|
1.0
|
|
N
|
B:ASP207
|
4.3
|
16.4
|
1.0
|
|
OD2
|
B:ASP27
|
4.4
|
17.1
|
1.0
|
|
O2B
|
A:ADP307
|
4.4
|
16.6
|
1.0
|
|
O3A
|
A:ADP307
|
4.4
|
13.8
|
1.0
|
|
O
|
B:HOH369
|
4.5
|
25.9
|
1.0
|
|
OG
|
B:SER209
|
4.5
|
15.8
|
1.0
|
|
CB
|
B:ASP207
|
4.5
|
15.2
|
1.0
|
|
CB
|
B:ASP71
|
4.6
|
13.3
|
1.0
|
|
C
|
B:ASP207
|
4.7
|
16.2
|
1.0
|
|
CA
|
B:ASP71
|
4.7
|
13.3
|
1.0
|
|
CA
|
B:ASP207
|
4.7
|
15.5
|
1.0
|
|
CZ
|
B:ARG142
|
4.9
|
17.5
|
1.0
|
|
Reference:
K.M.Mcculloch,
C.Kinsland,
T.P.Begley,
S.E.Ealick.
Structural Studies of Thiamin Monophosphate Kinase in Complex with Substrates and Products. Biochemistry V. 47 3810 2008.
ISSN: ISSN 0006-2960
PubMed: 18311927
DOI: 10.1021/BI800041H
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