Manganese in PDB 5cz0: Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant
Enzymatic activity of Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant
All present enzymatic activity of Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant:
2.5.1.54;
Protein crystallography data
The structure of Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant, PDB code: 5cz0
was solved by
L.C.Heyes,
E.J.Parker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
75.63 /
2.50
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.850,
135.250,
76.040,
90.00,
95.95,
90.00
|
R / Rfree (%)
|
20 /
26.4
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant
(pdb code 5cz0). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant, PDB code: 5cz0:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 5cz0
Go back to
Manganese Binding Sites List in 5cz0
Manganese binding site 1 out
of 4 in the Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn401
b:39.5
occ:1.00
|
OE2
|
A:GLU304
|
2.0
|
32.6
|
1.0
|
O
|
A:HOH524
|
2.1
|
29.7
|
1.0
|
OD2
|
A:ASP324
|
2.3
|
33.3
|
1.0
|
NE2
|
A:HIS270
|
2.4
|
27.2
|
1.0
|
SG
|
A:CYS63
|
2.5
|
33.9
|
1.0
|
CD
|
A:GLU304
|
3.0
|
33.3
|
1.0
|
CG
|
A:ASP324
|
3.2
|
32.9
|
1.0
|
CD2
|
A:HIS270
|
3.2
|
27.7
|
1.0
|
OE1
|
A:GLU304
|
3.3
|
32.7
|
1.0
|
O1
|
A:PEP403
|
3.5
|
52.6
|
1.0
|
CB
|
A:CYS63
|
3.5
|
32.4
|
1.0
|
CE1
|
A:HIS270
|
3.5
|
27.7
|
1.0
|
CB
|
A:ASP324
|
3.6
|
34.4
|
1.0
|
C2
|
A:EDO405
|
4.1
|
55.5
|
1.0
|
OD1
|
A:ASP324
|
4.2
|
31.1
|
1.0
|
NZ
|
A:LYS99
|
4.2
|
39.5
|
1.0
|
O
|
A:HOH533
|
4.2
|
29.4
|
1.0
|
CA
|
A:CYS63
|
4.3
|
31.4
|
1.0
|
NH2
|
A:ARG94
|
4.3
|
33.9
|
1.0
|
C1
|
A:PEP403
|
4.4
|
55.8
|
1.0
|
CG
|
A:GLU304
|
4.4
|
33.9
|
1.0
|
CG
|
A:HIS270
|
4.5
|
28.3
|
1.0
|
C2
|
A:PEP403
|
4.5
|
57.8
|
1.0
|
ND1
|
A:HIS270
|
4.6
|
27.5
|
1.0
|
N
|
A:ASP324
|
4.8
|
33.4
|
1.0
|
CA
|
A:ASP324
|
4.8
|
34.6
|
1.0
|
C3
|
A:PEP403
|
4.9
|
54.6
|
1.0
|
O2
|
A:PEP403
|
4.9
|
56.0
|
1.0
|
|
Manganese binding site 2 out
of 4 in 5cz0
Go back to
Manganese Binding Sites List in 5cz0
Manganese binding site 2 out
of 4 in the Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn401
b:60.2
occ:1.00
|
OE2
|
B:GLU304
|
2.0
|
38.5
|
1.0
|
NE2
|
B:HIS270
|
2.5
|
58.8
|
1.0
|
OD2
|
B:ASP324
|
2.6
|
62.6
|
1.0
|
SG
|
B:CYS63
|
2.6
|
48.1
|
1.0
|
CD
|
B:GLU304
|
3.1
|
40.5
|
1.0
|
OE1
|
B:GLU304
|
3.4
|
41.5
|
1.0
|
CG
|
B:ASP324
|
3.4
|
63.6
|
1.0
|
CE1
|
B:HIS270
|
3.4
|
58.1
|
1.0
|
CD2
|
B:HIS270
|
3.5
|
59.5
|
1.0
|
CB
|
B:ASP324
|
3.7
|
59.8
|
1.0
|
CB
|
B:CYS63
|
3.8
|
49.1
|
1.0
|
NH1
|
B:ARG94
|
3.8
|
41.3
|
1.0
|
NZ
|
B:LYS99
|
4.0
|
66.3
|
1.0
|
O2'
|
B:PEP402
|
4.1
|
66.1
|
1.0
|
C1
|
B:PEP402
|
4.2
|
65.9
|
1.0
|
C2
|
B:PEP402
|
4.3
|
74.0
|
1.0
|
CG
|
B:GLU304
|
4.4
|
41.8
|
1.0
|
CA
|
B:CYS63
|
4.4
|
50.1
|
1.0
|
OD1
|
B:ASP324
|
4.5
|
64.0
|
1.0
|
ND1
|
B:HIS270
|
4.5
|
58.4
|
1.0
|
C3
|
B:PEP402
|
4.6
|
75.0
|
1.0
|
CG
|
B:HIS270
|
4.6
|
58.2
|
1.0
|
O1
|
B:PEP402
|
4.7
|
55.2
|
1.0
|
O
|
B:CYS63
|
4.8
|
49.9
|
1.0
|
CZ
|
B:ARG94
|
4.8
|
38.9
|
1.0
|
CE
|
B:LYS99
|
4.8
|
67.5
|
1.0
|
O2
|
B:PEP402
|
4.8
|
79.4
|
1.0
|
C
|
B:CYS63
|
4.9
|
50.7
|
1.0
|
CA
|
B:ASP324
|
4.9
|
61.7
|
1.0
|
N
|
B:ASP324
|
4.9
|
61.9
|
1.0
|
|
Manganese binding site 3 out
of 4 in 5cz0
Go back to
Manganese Binding Sites List in 5cz0
Manganese binding site 3 out
of 4 in the Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn401
b:53.9
occ:1.00
|
OE2
|
C:GLU304
|
2.0
|
45.9
|
1.0
|
OD2
|
C:ASP324
|
2.3
|
66.6
|
1.0
|
NE2
|
C:HIS270
|
2.3
|
49.2
|
1.0
|
SG
|
C:CYS63
|
2.4
|
52.5
|
1.0
|
O
|
C:HOH504
|
2.4
|
33.8
|
1.0
|
CD
|
C:GLU304
|
2.8
|
45.4
|
1.0
|
OE1
|
C:GLU304
|
3.0
|
48.8
|
1.0
|
CD2
|
C:HIS270
|
3.2
|
51.2
|
1.0
|
CG
|
C:ASP324
|
3.2
|
65.2
|
1.0
|
CE1
|
C:HIS270
|
3.3
|
50.1
|
1.0
|
CB
|
C:CYS63
|
3.5
|
48.0
|
1.0
|
CB
|
C:ASP324
|
3.6
|
63.8
|
1.0
|
O2'
|
C:PEP402
|
3.8
|
54.5
|
1.0
|
CA
|
C:CYS63
|
4.1
|
46.7
|
1.0
|
CG
|
C:GLU304
|
4.2
|
42.0
|
1.0
|
NH2
|
C:ARG94
|
4.3
|
38.6
|
1.0
|
OD1
|
C:ASP324
|
4.3
|
66.8
|
1.0
|
CG
|
C:HIS270
|
4.3
|
52.1
|
1.0
|
ND1
|
C:HIS270
|
4.4
|
50.0
|
1.0
|
C1
|
C:PEP402
|
4.6
|
56.3
|
1.0
|
O
|
C:CYS63
|
4.8
|
48.0
|
1.0
|
CA
|
C:ASP324
|
4.8
|
63.3
|
1.0
|
O
|
C:HOH509
|
4.9
|
47.1
|
1.0
|
C
|
C:CYS63
|
4.9
|
47.8
|
1.0
|
N
|
C:ASP324
|
5.0
|
64.3
|
1.0
|
C2
|
C:PEP402
|
5.0
|
64.6
|
1.0
|
|
Manganese binding site 4 out
of 4 in 5cz0
Go back to
Manganese Binding Sites List in 5cz0
Manganese binding site 4 out
of 4 in the Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Neisseria Meningitidis 3 Dexy-D-Arabino-Heptulosonate 7-Phosphate Synthase GLU98ALA Variant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn401
b:49.7
occ:1.00
|
OE2
|
D:GLU304
|
2.1
|
48.8
|
1.0
|
OD2
|
D:ASP324
|
2.1
|
48.9
|
1.0
|
NE2
|
D:HIS270
|
2.4
|
45.2
|
1.0
|
SG
|
D:CYS63
|
2.6
|
41.3
|
1.0
|
CD
|
D:GLU304
|
3.1
|
49.4
|
1.0
|
CG
|
D:ASP324
|
3.1
|
50.7
|
1.0
|
O1
|
D:PEP403
|
3.3
|
48.9
|
1.0
|
CD2
|
D:HIS270
|
3.3
|
46.1
|
1.0
|
CE1
|
D:HIS270
|
3.4
|
46.2
|
1.0
|
OE1
|
D:GLU304
|
3.4
|
51.4
|
1.0
|
CB
|
D:ASP324
|
3.7
|
49.5
|
1.0
|
CB
|
D:CYS63
|
3.7
|
39.6
|
1.0
|
NZ
|
D:LYS99
|
3.8
|
50.4
|
1.0
|
OD1
|
D:ASP324
|
4.1
|
53.3
|
1.0
|
NH2
|
D:ARG94
|
4.1
|
45.0
|
1.0
|
C1
|
D:PEP403
|
4.2
|
59.5
|
1.0
|
CA
|
D:CYS63
|
4.2
|
40.0
|
1.0
|
C2
|
D:PEP403
|
4.2
|
65.0
|
1.0
|
CG
|
D:GLU304
|
4.4
|
48.2
|
1.0
|
CG
|
D:HIS270
|
4.5
|
47.6
|
1.0
|
ND1
|
D:HIS270
|
4.5
|
46.0
|
1.0
|
C3
|
D:PEP403
|
4.6
|
65.8
|
1.0
|
O
|
D:CYS63
|
4.6
|
42.5
|
1.0
|
O2
|
D:PEP403
|
4.6
|
68.0
|
1.0
|
CE
|
D:LYS99
|
4.7
|
51.2
|
1.0
|
C
|
D:CYS63
|
4.8
|
40.7
|
1.0
|
CA
|
D:ASP324
|
4.9
|
49.2
|
1.0
|
CZ
|
D:ARG94
|
5.0
|
44.8
|
1.0
|
N
|
D:ASP324
|
5.0
|
50.2
|
1.0
|
|
Reference:
L.C.Heyes,
E.J.Parker.
NMEDAH7PS E98A Variant at 2.5 Angstroms Resolution To Be Published.
Page generated: Sat Oct 5 23:48:50 2024
|