Magnesium in PDB 7m06: Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Enzymatic activity of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
All present enzymatic activity of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom:
4.3.3.7;
Protein crystallography data
The structure of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom, PDB code: 7m06
was solved by
S.Saran,
D.A.R.Sanders,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.15 /
2.70
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.03,
84.29,
200.94,
90,
90,
90
|
R / Rfree (%)
|
19.4 /
24.2
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
(pdb code 7m06). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the
Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom, PDB code: 7m06:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Magnesium binding site 1 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 1 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg301
b:40.7
occ:1.00
|
N
|
A:ASN252
|
3.4
|
42.7
|
1.0
|
O
|
A:HOH418
|
3.6
|
36.1
|
1.0
|
CA
|
A:SER251
|
3.6
|
47.5
|
1.0
|
CD2
|
A:PHE248
|
3.7
|
40.8
|
1.0
|
NH2
|
A:ARG142
|
3.7
|
57.2
|
1.0
|
C
|
A:SER251
|
4.0
|
45.2
|
1.0
|
CB
|
A:SER251
|
4.2
|
48.0
|
1.0
|
CB
|
A:ASN252
|
4.2
|
39.6
|
1.0
|
CA
|
A:ASN252
|
4.4
|
41.2
|
1.0
|
O
|
A:GLU250
|
4.4
|
49.0
|
1.0
|
CE2
|
A:PHE248
|
4.5
|
41.0
|
1.0
|
CZ
|
A:ARG142
|
4.6
|
54.8
|
1.0
|
CG
|
A:PHE248
|
4.7
|
40.7
|
1.0
|
CB
|
A:PHE248
|
4.7
|
41.0
|
1.0
|
OG
|
A:SER251
|
4.7
|
49.0
|
1.0
|
MG
|
A:MG302
|
4.7
|
50.3
|
1.0
|
N
|
A:SER251
|
4.7
|
49.4
|
1.0
|
CD
|
B:LYS113
|
4.7
|
58.2
|
1.0
|
CE
|
B:LYS113
|
4.8
|
59.8
|
1.0
|
NE
|
A:ARG142
|
4.9
|
52.0
|
1.0
|
C
|
A:GLU250
|
4.9
|
49.5
|
1.0
|
O
|
A:ASN252
|
5.0
|
41.8
|
1.0
|
|
Magnesium binding site 2 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 2 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg302
b:50.3
occ:1.00
|
NE
|
A:ARG142
|
3.5
|
52.0
|
1.0
|
ND2
|
A:ASN252
|
3.6
|
39.8
|
1.0
|
NH2
|
A:ARG142
|
3.6
|
57.2
|
1.0
|
CZ
|
A:ARG142
|
4.0
|
54.8
|
1.0
|
CB
|
A:ASN252
|
4.1
|
39.6
|
1.0
|
OH
|
A:TYR137
|
4.1
|
46.7
|
1.0
|
CG2
|
A:THR47
|
4.3
|
50.6
|
1.0
|
CG
|
A:ASN252
|
4.3
|
38.8
|
1.0
|
CE2
|
A:PHE248
|
4.3
|
41.0
|
1.0
|
CD
|
A:ARG142
|
4.5
|
47.9
|
1.0
|
MG
|
A:MG301
|
4.7
|
40.7
|
1.0
|
|
Magnesium binding site 3 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 3 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg302
b:45.5
occ:1.00
|
O
|
B:HOH402
|
3.9
|
48.7
|
1.0
|
O
|
B:VAL75
|
4.0
|
40.2
|
1.0
|
OD2
|
B:ASP102
|
4.1
|
45.5
|
1.0
|
OD1
|
B:ASP102
|
4.1
|
48.2
|
1.0
|
O
|
B:CYS70
|
4.3
|
43.9
|
1.0
|
CG
|
B:ASP102
|
4.5
|
45.7
|
1.0
|
O
|
B:THR73
|
4.6
|
45.9
|
1.0
|
C
|
B:CYS70
|
5.0
|
43.8
|
1.0
|
|
Magnesium binding site 4 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 4 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg302
b:30.7
occ:1.00
|
O
|
C:HOH426
|
3.6
|
33.4
|
1.0
|
N
|
C:VAL107
|
3.8
|
37.4
|
1.0
|
CB
|
C:VAL107
|
3.9
|
37.3
|
1.0
|
N
|
C:GLY82
|
3.9
|
44.1
|
1.0
|
CG1
|
C:VAL107
|
4.1
|
36.4
|
1.0
|
O
|
C:LEU105
|
4.1
|
35.9
|
1.0
|
CA
|
C:GLY82
|
4.3
|
44.8
|
1.0
|
CD2
|
C:LEU105
|
4.4
|
36.8
|
1.0
|
N
|
C:ALA81
|
4.4
|
41.2
|
1.0
|
CA
|
C:VAL107
|
4.5
|
37.8
|
1.0
|
CA
|
C:GLY80
|
4.5
|
39.2
|
1.0
|
C
|
C:LEU105
|
4.5
|
35.8
|
1.0
|
CG
|
C:LEU105
|
4.6
|
36.7
|
1.0
|
CD2
|
C:TYR137
|
4.7
|
44.6
|
1.0
|
CA
|
C:SER106
|
4.7
|
37.3
|
1.0
|
C
|
C:SER106
|
4.7
|
37.1
|
1.0
|
N
|
C:SER106
|
4.7
|
36.2
|
1.0
|
C
|
C:GLY80
|
4.8
|
40.6
|
1.0
|
CA
|
C:GLY46
|
4.8
|
44.2
|
1.0
|
CB
|
C:LEU105
|
4.9
|
36.3
|
1.0
|
CG2
|
C:VAL107
|
5.0
|
37.7
|
1.0
|
|
Magnesium binding site 5 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 5 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg303
b:37.4
occ:1.00
|
O
|
C:VAL75
|
4.1
|
41.8
|
1.0
|
O
|
C:CYS70
|
4.1
|
49.3
|
1.0
|
O
|
C:THR73
|
4.1
|
46.7
|
1.0
|
O
|
C:HOH404
|
4.2
|
36.8
|
1.0
|
OD2
|
C:ASP102
|
4.5
|
41.9
|
1.0
|
OD1
|
C:ASP102
|
4.6
|
43.6
|
1.0
|
C
|
C:CYS70
|
4.8
|
48.9
|
1.0
|
CA
|
C:LYS71
|
4.9
|
52.5
|
1.0
|
CG
|
C:ASP102
|
5.0
|
42.2
|
1.0
|
|
Magnesium binding site 6 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 6 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg304
b:40.0
occ:1.00
|
NZ
|
D:LYS113
|
3.4
|
56.1
|
1.0
|
NH2
|
C:ARG142
|
3.4
|
81.2
|
1.0
|
N
|
C:ASN252
|
3.5
|
39.2
|
1.0
|
CD2
|
C:PHE248
|
3.7
|
42.9
|
1.0
|
CA
|
C:SER251
|
3.9
|
41.5
|
1.0
|
CE
|
D:LYS113
|
4.0
|
53.3
|
1.0
|
CB
|
C:ASN252
|
4.1
|
38.3
|
1.0
|
CE2
|
C:PHE248
|
4.2
|
42.0
|
1.0
|
O
|
C:HOH410
|
4.2
|
30.0
|
1.0
|
C
|
C:SER251
|
4.2
|
39.7
|
1.0
|
CZ
|
C:ARG142
|
4.2
|
76.9
|
1.0
|
CB
|
C:SER251
|
4.3
|
42.3
|
1.0
|
CA
|
C:ASN252
|
4.4
|
37.7
|
1.0
|
NE
|
C:ARG142
|
4.7
|
73.1
|
1.0
|
CG
|
C:PHE248
|
4.7
|
43.5
|
1.0
|
O
|
C:GLU250
|
4.8
|
42.8
|
1.0
|
OG
|
C:SER251
|
4.8
|
44.0
|
1.0
|
O
|
C:ASN252
|
4.9
|
37.9
|
1.0
|
CB
|
C:PHE248
|
4.9
|
43.4
|
1.0
|
|
Magnesium binding site 7 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 7 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg305
b:51.3
occ:1.00
|
O
|
C:HOH424
|
2.3
|
44.8
|
1.0
|
N
|
C:GLU160
|
3.3
|
57.4
|
1.0
|
N
|
C:ASN161
|
3.6
|
52.4
|
1.0
|
O
|
C:ALA127
|
3.7
|
52.7
|
1.0
|
CA
|
C:CYS159
|
3.8
|
53.3
|
1.0
|
CB
|
C:CYS159
|
3.8
|
51.4
|
1.0
|
C
|
C:CYS159
|
3.9
|
54.7
|
1.0
|
C
|
C:ALA127
|
4.1
|
52.0
|
1.0
|
OD1
|
C:ASN161
|
4.1
|
52.2
|
1.0
|
CB
|
C:ALA127
|
4.2
|
48.1
|
1.0
|
CB
|
C:ASN161
|
4.2
|
49.3
|
1.0
|
CA
|
C:GLU160
|
4.2
|
60.8
|
1.0
|
CG
|
C:ASN161
|
4.3
|
51.3
|
1.0
|
C
|
C:GLU160
|
4.4
|
56.2
|
1.0
|
CB
|
C:GLU160
|
4.5
|
69.4
|
1.0
|
CA
|
C:ASN161
|
4.5
|
49.2
|
1.0
|
N
|
C:GLN128
|
4.6
|
55.1
|
1.0
|
CG
|
C:GLN128
|
4.6
|
63.2
|
1.0
|
SG
|
C:CYS159
|
4.7
|
51.0
|
1.0
|
CA
|
C:ALA127
|
4.7
|
48.1
|
1.0
|
CA
|
C:GLN128
|
4.8
|
59.4
|
1.0
|
O
|
C:CYS159
|
5.0
|
53.6
|
1.0
|
|
Magnesium binding site 8 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 8 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg301
b:41.0
occ:1.00
|
N
|
D:ASN252
|
3.5
|
42.0
|
1.0
|
NH2
|
D:ARG142
|
3.6
|
52.8
|
1.0
|
CD2
|
D:PHE248
|
3.7
|
48.2
|
1.0
|
CA
|
D:SER251
|
3.9
|
44.4
|
1.0
|
CB
|
D:ASN252
|
4.2
|
42.2
|
1.0
|
C
|
D:SER251
|
4.2
|
42.5
|
1.0
|
CE2
|
D:PHE248
|
4.3
|
48.6
|
1.0
|
MG
|
D:MG302
|
4.4
|
53.0
|
1.0
|
CA
|
D:ASN252
|
4.4
|
41.3
|
1.0
|
CE
|
C:LYS113
|
4.4
|
55.2
|
1.0
|
CZ
|
D:ARG142
|
4.5
|
50.8
|
1.0
|
CB
|
D:SER251
|
4.5
|
44.4
|
1.0
|
O
|
D:GLU250
|
4.6
|
47.2
|
1.0
|
CD
|
C:LYS113
|
4.7
|
53.6
|
1.0
|
CG
|
D:PHE248
|
4.7
|
45.5
|
1.0
|
CB
|
D:PHE248
|
4.9
|
44.6
|
1.0
|
NE
|
D:ARG142
|
4.9
|
48.9
|
1.0
|
OG
|
D:SER251
|
4.9
|
45.6
|
1.0
|
N
|
D:SER251
|
4.9
|
45.6
|
1.0
|
O
|
D:ASN252
|
5.0
|
41.6
|
1.0
|
|
Magnesium binding site 9 out
of 9 in 7m06
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Magnesium Binding Sites List in 7m06
Magnesium binding site 9 out
of 9 in the Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Dihydrodipicolinate Synthase (Dhdps) From C.Jejuni, Y110F Mutant with R,R-Bislysine Bound at the Allosteric Site at 2.7 Angstrom within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg302
b:53.0
occ:1.00
|
NE
|
D:ARG142
|
3.5
|
48.9
|
1.0
|
NH2
|
D:ARG142
|
3.6
|
52.8
|
1.0
|
ND2
|
D:ASN252
|
3.8
|
44.9
|
1.0
|
CZ
|
D:ARG142
|
4.1
|
50.8
|
1.0
|
CE2
|
D:PHE248
|
4.1
|
48.6
|
1.0
|
CB
|
D:ASN252
|
4.3
|
42.2
|
1.0
|
OH
|
D:TYR137
|
4.3
|
46.7
|
1.0
|
MG
|
D:MG301
|
4.4
|
41.0
|
1.0
|
CG
|
D:ASN252
|
4.5
|
42.9
|
1.0
|
CG2
|
D:THR47
|
4.6
|
59.1
|
1.0
|
CD
|
D:ARG142
|
4.6
|
45.3
|
1.0
|
CD2
|
D:PHE248
|
4.9
|
48.2
|
1.0
|
CZ
|
D:PHE248
|
4.9
|
46.8
|
1.0
|
|
Reference:
S.Saran,
D.A.R.Sanders.
B-Factor Analysis Suggest That L-Lysine and R, R-Bislysine Allosterically Inhibit Cj.Dhdps Enzyme By Decreasing Protein Dynamics To Be Published.
Page generated: Wed Oct 2 23:36:33 2024
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