Manganese in PDB 5kst: Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).
Enzymatic activity of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).
All present enzymatic activity of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).:
3.1.3.5;
Protein crystallography data
The structure of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp)., PDB code: 5kst
was solved by
A.T.P.Machado,
E.M.B.Fonseca,
M.A.Dos Reis,
A.M.Saraiva,
C.A.Dos Santos,
M.A.S.De Toledo,
I.Polikarpov,
A.P.De Souza,
R.Aparicio,
J.Iulek,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
77.96 /
2.76
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
157.001,
78.209,
82.158,
90.00,
96.74,
90.00
|
R / Rfree (%)
|
19.7 /
24.8
|
Other elements in 5kst:
The structure of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp). also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).
(pdb code 5kst). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp)., PDB code: 5kst:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 5kst
Go back to
Manganese Binding Sites List in 5kst
Manganese binding site 1 out
of 4 in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).
 Mono view
 Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn501
b:39.2
occ:1.00
|
OD1
|
A:ASP9
|
1.9
|
37.4
|
1.0
|
O2
|
A:PO4503
|
2.1
|
42.3
|
1.0
|
OD1
|
A:ASN92
|
2.2
|
41.1
|
1.0
|
OG
|
A:SER40
|
2.4
|
67.0
|
1.0
|
OD1
|
A:ASP8
|
2.4
|
43.7
|
1.0
|
OD2
|
A:ASP8
|
2.9
|
43.8
|
1.0
|
CG
|
A:ASP8
|
2.9
|
43.1
|
1.0
|
CG
|
A:ASP9
|
3.1
|
37.4
|
1.0
|
CG
|
A:ASN92
|
3.3
|
40.9
|
1.0
|
CB
|
A:SER40
|
3.3
|
68.0
|
1.0
|
P
|
A:PO4503
|
3.3
|
40.9
|
1.0
|
O1
|
A:PO4503
|
3.6
|
38.2
|
1.0
|
OD2
|
A:ASP9
|
3.6
|
37.7
|
1.0
|
OD1
|
A:ASN93
|
3.8
|
48.8
|
1.0
|
ND2
|
A:ASN92
|
3.8
|
41.3
|
1.0
|
CA
|
A:SER40
|
4.0
|
67.8
|
1.0
|
N
|
A:ASP9
|
4.1
|
35.9
|
1.0
|
O4
|
A:PO4503
|
4.1
|
41.9
|
1.0
|
OG1
|
A:THR106
|
4.2
|
40.0
|
1.0
|
O
|
A:HOH609
|
4.3
|
39.4
|
1.0
|
CB
|
A:ASP9
|
4.3
|
37.2
|
1.0
|
CB
|
A:ASP8
|
4.4
|
40.7
|
1.0
|
CA
|
A:ASP9
|
4.4
|
36.8
|
1.0
|
O3
|
A:PO4503
|
4.4
|
42.6
|
1.0
|
C
|
A:ASP8
|
4.4
|
40.9
|
1.0
|
CB
|
A:ASN92
|
4.5
|
40.4
|
1.0
|
OD1
|
A:ASP38
|
4.5
|
51.5
|
1.0
|
CG
|
A:ASN93
|
4.7
|
48.5
|
1.0
|
N
|
A:SER40
|
4.8
|
67.8
|
1.0
|
O
|
A:ASP8
|
4.8
|
41.8
|
1.0
|
CA
|
A:ASP8
|
4.9
|
39.8
|
1.0
|
CA
|
A:ASN92
|
4.9
|
41.1
|
1.0
|
ND2
|
A:ASN93
|
4.9
|
49.7
|
1.0
|
N
|
A:ASN93
|
5.0
|
43.4
|
1.0
|
|
Manganese binding site 2 out
of 4 in 5kst
Go back to
Manganese Binding Sites List in 5kst
Manganese binding site 2 out
of 4 in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).
 Mono view
 Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn302
b:37.8
occ:1.00
|
OD1
|
B:ASP9
|
1.9
|
34.8
|
1.0
|
OD1
|
B:ASN92
|
2.1
|
38.6
|
1.0
|
O3
|
B:PO4303
|
2.2
|
37.8
|
1.0
|
OD1
|
B:ASP8
|
2.3
|
49.4
|
1.0
|
OG
|
B:SER40
|
2.5
|
81.8
|
1.0
|
CG
|
B:ASP8
|
3.0
|
48.5
|
1.0
|
OD2
|
B:ASP8
|
3.0
|
48.7
|
1.0
|
CG
|
B:ASP9
|
3.0
|
35.1
|
1.0
|
CG
|
B:ASN92
|
3.2
|
38.3
|
1.0
|
P
|
B:PO4303
|
3.3
|
36.6
|
1.0
|
O4
|
B:PO4303
|
3.4
|
33.7
|
1.0
|
CB
|
B:SER40
|
3.5
|
82.1
|
1.0
|
OD2
|
B:ASP9
|
3.5
|
35.2
|
1.0
|
OD1
|
B:ASN93
|
3.7
|
57.7
|
1.0
|
ND2
|
B:ASN92
|
3.7
|
37.9
|
1.0
|
O1
|
B:PO4303
|
4.0
|
36.2
|
1.0
|
O
|
B:HOH408
|
4.1
|
38.4
|
1.0
|
OG1
|
B:THR106
|
4.1
|
39.6
|
1.0
|
N
|
B:ASP9
|
4.1
|
37.0
|
1.0
|
CA
|
B:SER40
|
4.2
|
83.0
|
1.0
|
CB
|
B:ASP9
|
4.2
|
35.8
|
1.0
|
CA
|
B:ASP9
|
4.4
|
36.9
|
1.0
|
CB
|
B:ASP8
|
4.4
|
47.5
|
1.0
|
CB
|
B:ASN92
|
4.4
|
39.2
|
1.0
|
C
|
B:ASP8
|
4.4
|
48.1
|
1.0
|
O2
|
B:PO4303
|
4.5
|
36.8
|
1.0
|
O
|
B:HOH440
|
4.5
|
26.6
|
1.0
|
CG
|
B:ASN93
|
4.6
|
57.8
|
1.0
|
OD1
|
B:ASP38
|
4.6
|
64.7
|
1.0
|
O
|
B:HOH402
|
4.7
|
32.7
|
1.0
|
CA
|
B:ASN92
|
4.8
|
40.5
|
1.0
|
N
|
B:ASN93
|
4.8
|
55.2
|
1.0
|
CA
|
B:ASP8
|
4.9
|
47.5
|
1.0
|
O
|
B:ASP8
|
4.9
|
48.9
|
1.0
|
ND2
|
B:ASN93
|
4.9
|
59.0
|
1.0
|
N
|
B:SER40
|
4.9
|
84.5
|
1.0
|
|
Manganese binding site 3 out
of 4 in 5kst
Go back to
Manganese Binding Sites List in 5kst
Manganese binding site 3 out
of 4 in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).
 Mono view
 Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn501
b:34.6
occ:1.00
|
OD1
|
C:ASP9
|
2.0
|
38.8
|
1.0
|
OD1
|
C:ASN92
|
2.1
|
34.4
|
1.0
|
O2
|
C:PO4503
|
2.1
|
37.8
|
1.0
|
OD1
|
C:ASP8
|
2.2
|
36.4
|
1.0
|
OG
|
C:SER40
|
2.3
|
50.4
|
1.0
|
CG
|
C:ASP8
|
3.1
|
34.7
|
1.0
|
CG
|
C:ASP9
|
3.1
|
39.0
|
1.0
|
CG
|
C:ASN92
|
3.2
|
35.4
|
1.0
|
P
|
C:PO4503
|
3.4
|
37.3
|
1.0
|
OD2
|
C:ASP8
|
3.4
|
34.0
|
1.0
|
CB
|
C:SER40
|
3.4
|
51.5
|
1.0
|
O4
|
C:PO4503
|
3.5
|
38.7
|
1.0
|
OD1
|
C:ASN93
|
3.7
|
42.0
|
1.0
|
ND2
|
C:ASN92
|
3.7
|
36.4
|
1.0
|
OD2
|
C:ASP9
|
3.7
|
40.7
|
1.0
|
O
|
C:HOH620
|
3.9
|
28.7
|
1.0
|
OG1
|
C:THR106
|
4.0
|
33.5
|
1.0
|
O1
|
C:PO4503
|
4.0
|
39.0
|
1.0
|
N
|
C:ASP9
|
4.1
|
35.2
|
1.0
|
CB
|
C:ASP9
|
4.3
|
38.2
|
1.0
|
CA
|
C:SER40
|
4.3
|
51.3
|
1.0
|
CA
|
C:ASP9
|
4.3
|
36.6
|
1.0
|
C
|
C:ASP8
|
4.4
|
34.6
|
1.0
|
CG
|
C:ASN93
|
4.4
|
42.0
|
1.0
|
CB
|
C:ASN92
|
4.5
|
35.5
|
1.0
|
O3
|
C:PO4503
|
4.5
|
37.2
|
1.0
|
CB
|
C:ASP8
|
4.5
|
33.3
|
1.0
|
N
|
C:ASN93
|
4.6
|
41.1
|
1.0
|
OD1
|
C:ASP38
|
4.7
|
53.5
|
1.0
|
O
|
C:ASP8
|
4.7
|
35.0
|
1.0
|
ND2
|
C:ASN93
|
4.7
|
40.6
|
1.0
|
CA
|
C:ASN92
|
4.8
|
37.2
|
1.0
|
CA
|
C:ASP8
|
4.9
|
33.6
|
1.0
|
N
|
C:SER40
|
4.9
|
50.8
|
1.0
|
|
Manganese binding site 4 out
of 4 in 5kst
Go back to
Manganese Binding Sites List in 5kst
Manganese binding site 4 out
of 4 in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp).
 Mono view
 Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa- Xfsure-Tsamp (Tetramer Smaller - Crystallization with 3'Amp). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn602
b:49.7
occ:1.00
|
O3
|
D:PO4604
|
1.9
|
55.0
|
1.0
|
OD1
|
D:ASP8
|
2.2
|
45.7
|
1.0
|
OD1
|
D:ASN92
|
2.2
|
46.0
|
1.0
|
OG
|
D:SER40
|
2.3
|
69.7
|
1.0
|
OD1
|
D:ASP9
|
2.4
|
51.5
|
1.0
|
CG
|
D:ASP8
|
3.0
|
43.1
|
1.0
|
OD2
|
D:ASP8
|
3.1
|
41.8
|
1.0
|
P
|
D:PO4604
|
3.2
|
54.0
|
1.0
|
CB
|
D:SER40
|
3.2
|
69.8
|
1.0
|
CG
|
D:ASN92
|
3.3
|
46.8
|
1.0
|
CG
|
D:ASP9
|
3.4
|
51.8
|
1.0
|
ND2
|
D:ASN92
|
3.7
|
46.7
|
1.0
|
O1
|
D:PO4604
|
3.7
|
53.7
|
1.0
|
O2
|
D:PO4604
|
3.8
|
54.6
|
1.0
|
OD1
|
D:ASN93
|
3.9
|
45.7
|
1.0
|
OG1
|
D:THR106
|
3.9
|
40.2
|
1.0
|
OD2
|
D:ASP9
|
4.0
|
53.1
|
1.0
|
CA
|
D:SER40
|
4.1
|
69.6
|
1.0
|
N
|
D:ASP9
|
4.3
|
48.2
|
1.0
|
O4
|
D:PO4604
|
4.3
|
53.8
|
1.0
|
C
|
D:ASP8
|
4.4
|
40.2
|
1.0
|
CB
|
D:ASP8
|
4.4
|
41.0
|
1.0
|
CA
|
D:ASP9
|
4.5
|
49.2
|
1.0
|
CB
|
D:ASP9
|
4.6
|
50.7
|
1.0
|
CB
|
D:ASN92
|
4.6
|
47.9
|
1.0
|
CG
|
D:ASN93
|
4.7
|
45.2
|
1.0
|
O
|
D:ASP8
|
4.7
|
39.3
|
1.0
|
OD1
|
D:ASP38
|
4.7
|
73.0
|
1.0
|
N
|
D:SER40
|
4.8
|
70.0
|
1.0
|
N
|
D:ASN93
|
4.9
|
47.9
|
1.0
|
CA
|
D:ASP8
|
4.9
|
40.6
|
1.0
|
ND2
|
D:ASN93
|
4.9
|
44.5
|
1.0
|
CA
|
D:ASN92
|
5.0
|
48.0
|
1.0
|
|
Reference:
A.T.P.Machado,
E.M.B.Fonseca,
M.A.D.Reis,
A.M.Saraiva,
C.A.D.Santos,
M.A.S.De Toledo,
I.Polikarpov,
A.P.De Souza,
R.Aparicio,
J.Iulek.
Conformational Variability of the Stationary Phase Survival Protein E From Xylella Fastidiosa Revealed By X-Ray Crystallography, Small-Angle X-Ray Scattering Studies, and Normal Mode Analysis. Proteins V. 85 1931 2017.
ISSN: ESSN 1097-0134
PubMed: 28677327
DOI: 10.1002/PROT.25347
Page generated: Sun Oct 6 01:46:15 2024
|