Sodium in PDB 1f7t: Holo-(Acyl Carrier Protein) Synthase at 1.8A
Enzymatic activity of Holo-(Acyl Carrier Protein) Synthase at 1.8A
All present enzymatic activity of Holo-(Acyl Carrier Protein) Synthase at 1.8A:
2.7.8.7;
Protein crystallography data
The structure of Holo-(Acyl Carrier Protein) Synthase at 1.8A, PDB code: 1f7t
was solved by
K.D.Parris,
L.Lin,
A.Tam,
R.Mathew,
J.Hixon,
M.Stahl,
C.C.Fritz,
J.Seehra,
W.S.Somers,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
1.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
76.262,
76.160,
85.693,
90.00,
93.32,
90.00
|
R / Rfree (%)
|
19.6 /
21.9
|
Other elements in 1f7t:
The structure of Holo-(Acyl Carrier Protein) Synthase at 1.8A also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
(pdb code 1f7t). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 8 binding sites of Sodium where determined in the
Holo-(Acyl Carrier Protein) Synthase at 1.8A, PDB code: 1f7t:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Sodium binding site 1 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 1 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na472
b:26.2
occ:1.00
|
O
|
A:HOH536
|
2.3
|
34.7
|
1.0
|
O
|
A:HIS105
|
2.3
|
23.9
|
1.0
|
O
|
B:ILE9
|
2.4
|
20.5
|
1.0
|
O
|
B:HOH528
|
2.4
|
30.8
|
1.0
|
CL
|
B:CL490
|
2.9
|
27.8
|
1.0
|
C
|
A:HIS105
|
3.5
|
24.7
|
1.0
|
C
|
B:ILE9
|
3.5
|
20.4
|
1.0
|
CG2
|
A:THR106
|
3.9
|
24.5
|
1.0
|
O
|
A:HOH518
|
4.0
|
27.0
|
1.0
|
CA
|
B:THR10
|
4.1
|
22.1
|
1.0
|
OD2
|
B:ASP8
|
4.1
|
28.1
|
1.0
|
OG1
|
A:THR104
|
4.1
|
21.8
|
1.0
|
CA
|
A:THR106
|
4.2
|
24.5
|
1.0
|
O
|
B:HOH569
|
4.2
|
63.1
|
1.0
|
N
|
A:THR106
|
4.3
|
24.2
|
1.0
|
N
|
B:THR10
|
4.3
|
20.8
|
1.0
|
OG1
|
B:THR10
|
4.4
|
25.0
|
1.0
|
O
|
B:HOH538
|
4.4
|
39.5
|
1.0
|
NH2
|
B:ARG14
|
4.4
|
39.8
|
1.0
|
N
|
A:HIS105
|
4.5
|
22.1
|
1.0
|
N
|
B:ILE9
|
4.5
|
19.6
|
1.0
|
CB
|
A:THR106
|
4.6
|
25.8
|
1.0
|
CA
|
A:HIS105
|
4.6
|
24.8
|
1.0
|
CA
|
B:ILE9
|
4.7
|
20.2
|
1.0
|
CG
|
B:ASP8
|
4.7
|
25.1
|
1.0
|
OD1
|
B:ASP8
|
4.7
|
25.8
|
1.0
|
CB
|
B:THR10
|
4.8
|
23.0
|
1.0
|
|
Sodium binding site 2 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 2 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na480
b:38.1
occ:1.00
|
O
|
A:HOH520
|
2.3
|
29.1
|
1.0
|
O
|
A:GLU27
|
2.3
|
27.4
|
1.0
|
O
|
A:HOH557
|
2.5
|
48.6
|
1.0
|
O
|
A:HOH565
|
2.5
|
38.7
|
1.0
|
OE1
|
A:GLN75
|
3.3
|
34.3
|
1.0
|
C
|
A:GLU27
|
3.4
|
26.6
|
1.0
|
CD
|
A:GLN75
|
3.8
|
32.5
|
1.0
|
O
|
A:LEU30
|
3.9
|
23.9
|
1.0
|
NE2
|
A:GLN75
|
4.1
|
30.6
|
1.0
|
CA
|
A:GLU27
|
4.2
|
25.7
|
1.0
|
CB
|
A:GLU27
|
4.2
|
26.0
|
1.0
|
O
|
A:HOH564
|
4.3
|
42.1
|
1.0
|
N
|
A:ARG28
|
4.4
|
26.8
|
1.0
|
CA
|
A:ARG28
|
4.5
|
28.4
|
1.0
|
CD1
|
A:LEU35
|
4.6
|
24.7
|
1.0
|
CG
|
A:GLN75
|
4.8
|
31.7
|
1.0
|
O
|
A:HOH577
|
4.9
|
41.2
|
1.0
|
|
Sodium binding site 3 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 3 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na473
b:24.8
occ:1.00
|
O
|
C:HOH543
|
2.2
|
29.7
|
1.0
|
O
|
B:HOH529
|
2.3
|
30.1
|
1.0
|
O
|
B:VAL101
|
2.3
|
20.4
|
1.0
|
CL
|
C:CL491
|
2.8
|
26.4
|
1.0
|
CL
|
B:CL484
|
2.9
|
30.1
|
1.0
|
C
|
B:VAL101
|
3.5
|
19.2
|
1.0
|
O
|
C:HOH568
|
3.7
|
39.5
|
1.0
|
N
|
B:VAL101
|
4.0
|
20.1
|
1.0
|
O
|
B:PRO87
|
4.1
|
23.4
|
1.0
|
O
|
C:ILE5
|
4.3
|
16.5
|
1.0
|
CA
|
B:VAL101
|
4.4
|
18.6
|
1.0
|
O
|
B:HOH517
|
4.4
|
22.4
|
1.0
|
CG1
|
B:VAL101
|
4.4
|
19.5
|
1.0
|
O
|
B:HOH510
|
4.4
|
43.1
|
1.0
|
N
|
B:SER102
|
4.5
|
18.4
|
1.0
|
O
|
B:HOH516
|
4.5
|
53.8
|
1.0
|
CA
|
B:SER102
|
4.6
|
18.7
|
1.0
|
O
|
C:LYS62
|
5.0
|
23.2
|
1.0
|
CB
|
B:SER102
|
5.0
|
18.5
|
1.0
|
|
Sodium binding site 4 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 4 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na479
b:28.6
occ:1.00
|
O
|
C:HOH551
|
2.3
|
32.8
|
1.0
|
O
|
C:ILE9
|
2.4
|
21.2
|
1.0
|
O
|
B:HIS105
|
2.4
|
23.8
|
1.0
|
O
|
B:HOH544
|
2.4
|
38.4
|
1.0
|
CL
|
C:CL483
|
2.9
|
28.3
|
1.0
|
C
|
C:ILE9
|
3.6
|
20.1
|
1.0
|
C
|
B:HIS105
|
3.6
|
23.9
|
1.0
|
CG2
|
B:THR106
|
4.0
|
24.9
|
1.0
|
OD2
|
C:ASP8
|
4.1
|
24.6
|
1.0
|
O
|
B:HOH537
|
4.1
|
36.1
|
1.0
|
CA
|
C:THR10
|
4.1
|
22.2
|
1.0
|
OG1
|
B:THR104
|
4.2
|
22.1
|
1.0
|
O
|
C:HOH560
|
4.2
|
39.6
|
1.0
|
OG1
|
C:THR10
|
4.2
|
22.7
|
1.0
|
CA
|
B:THR106
|
4.3
|
24.8
|
1.0
|
N
|
C:THR10
|
4.3
|
20.8
|
1.0
|
N
|
B:THR106
|
4.4
|
23.9
|
1.0
|
NH2
|
C:ARG14
|
4.4
|
40.0
|
1.0
|
N
|
C:ILE9
|
4.6
|
18.6
|
1.0
|
N
|
B:HIS105
|
4.6
|
20.5
|
1.0
|
CB
|
B:THR106
|
4.7
|
24.1
|
1.0
|
CG
|
C:ASP8
|
4.7
|
22.4
|
1.0
|
OD1
|
C:ASP8
|
4.7
|
23.3
|
1.0
|
CA
|
B:HIS105
|
4.7
|
24.1
|
1.0
|
CA
|
C:ILE9
|
4.7
|
20.1
|
1.0
|
CB
|
C:THR10
|
4.8
|
23.8
|
1.0
|
|
Sodium binding site 5 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 5 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na474
b:31.3
occ:1.00
|
O
|
C:HIS105
|
2.3
|
22.8
|
1.0
|
O
|
C:HOH564
|
2.3
|
42.2
|
1.0
|
O
|
A:ILE9
|
2.4
|
18.6
|
1.0
|
O
|
A:HOH526
|
2.5
|
33.8
|
1.0
|
CL
|
A:CL494
|
2.9
|
29.3
|
1.0
|
C
|
C:HIS105
|
3.5
|
22.7
|
1.0
|
C
|
A:ILE9
|
3.7
|
20.6
|
1.0
|
CG2
|
C:THR106
|
4.0
|
24.6
|
1.0
|
OG1
|
C:THR104
|
4.1
|
21.8
|
1.0
|
NH2
|
A:ARG14
|
4.1
|
44.5
|
1.0
|
OD2
|
A:ASP8
|
4.1
|
25.9
|
1.0
|
CA
|
C:THR106
|
4.1
|
25.1
|
1.0
|
O
|
A:HOH516
|
4.1
|
28.2
|
1.0
|
CA
|
A:THR10
|
4.1
|
22.8
|
1.0
|
N
|
C:THR106
|
4.2
|
24.3
|
1.0
|
OG1
|
A:THR10
|
4.3
|
26.5
|
1.0
|
N
|
A:THR10
|
4.4
|
20.9
|
1.0
|
O
|
A:HOH543
|
4.4
|
43.3
|
1.0
|
N
|
C:HIS105
|
4.5
|
21.2
|
1.0
|
CA
|
C:HIS105
|
4.6
|
23.8
|
1.0
|
N
|
A:ILE9
|
4.6
|
19.0
|
1.0
|
CB
|
C:THR106
|
4.6
|
25.6
|
1.0
|
CA
|
A:ILE9
|
4.8
|
19.3
|
1.0
|
CG
|
A:ASP8
|
4.8
|
21.9
|
1.0
|
CB
|
A:THR10
|
4.8
|
25.3
|
1.0
|
OD1
|
A:ASP8
|
4.8
|
24.5
|
1.0
|
|
Sodium binding site 6 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 6 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na475
b:28.6
occ:1.00
|
O
|
D:HOH547
|
2.3
|
38.2
|
1.0
|
O
|
D:HIS105
|
2.3
|
22.7
|
1.0
|
O
|
E:HOH528
|
2.3
|
32.4
|
1.0
|
O
|
E:ILE9
|
2.4
|
20.3
|
1.0
|
CL
|
E:CL482
|
3.0
|
26.9
|
1.0
|
C
|
D:HIS105
|
3.5
|
24.2
|
1.0
|
C
|
E:ILE9
|
3.6
|
21.0
|
1.0
|
OD2
|
E:ASP8
|
4.0
|
27.0
|
1.0
|
CG2
|
D:THR106
|
4.0
|
24.1
|
1.0
|
OG1
|
D:THR104
|
4.1
|
23.2
|
1.0
|
CA
|
E:THR10
|
4.1
|
22.5
|
1.0
|
O
|
D:HOH528
|
4.1
|
25.2
|
1.0
|
CA
|
D:THR106
|
4.2
|
24.5
|
1.0
|
OG1
|
E:THR10
|
4.2
|
24.3
|
1.0
|
N
|
D:THR106
|
4.3
|
24.6
|
1.0
|
N
|
E:THR10
|
4.3
|
20.9
|
1.0
|
O
|
E:HOH534
|
4.3
|
37.6
|
1.0
|
NH1
|
E:ARG14
|
4.3
|
40.5
|
1.0
|
N
|
D:HIS105
|
4.5
|
22.6
|
1.0
|
N
|
E:ILE9
|
4.5
|
19.6
|
1.0
|
CA
|
D:HIS105
|
4.6
|
24.0
|
1.0
|
CB
|
D:THR106
|
4.6
|
24.8
|
1.0
|
CG
|
E:ASP8
|
4.7
|
25.1
|
1.0
|
CA
|
E:ILE9
|
4.7
|
19.9
|
1.0
|
OD1
|
E:ASP8
|
4.7
|
26.3
|
1.0
|
CB
|
E:THR10
|
4.7
|
23.9
|
1.0
|
|
Sodium binding site 7 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 7 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na478
b:30.1
occ:1.00
|
O
|
F:HOH546
|
2.3
|
37.9
|
1.0
|
O
|
D:ILE9
|
2.4
|
20.6
|
1.0
|
O
|
F:HIS105
|
2.4
|
21.9
|
1.0
|
O
|
D:HOH544
|
2.4
|
34.3
|
1.0
|
CL
|
D:CL492
|
3.0
|
27.6
|
1.0
|
C
|
F:HIS105
|
3.6
|
23.3
|
1.0
|
C
|
D:ILE9
|
3.6
|
20.4
|
1.0
|
OD2
|
D:ASP8
|
4.0
|
24.4
|
1.0
|
CG2
|
F:THR106
|
4.0
|
25.8
|
1.0
|
OG1
|
F:THR104
|
4.1
|
20.2
|
1.0
|
NH1
|
D:ARG14
|
4.1
|
43.1
|
1.0
|
CA
|
D:THR10
|
4.2
|
20.7
|
1.0
|
O
|
D:HOH530
|
4.2
|
26.6
|
1.0
|
O
|
D:HOH549
|
4.2
|
38.7
|
1.0
|
CA
|
F:THR106
|
4.3
|
25.6
|
1.0
|
N
|
D:THR10
|
4.3
|
20.0
|
1.0
|
N
|
F:THR106
|
4.4
|
23.4
|
1.0
|
OG1
|
D:THR10
|
4.4
|
23.3
|
1.0
|
N
|
D:ILE9
|
4.5
|
18.3
|
1.0
|
N
|
F:HIS105
|
4.5
|
21.3
|
1.0
|
OD1
|
D:ASP8
|
4.6
|
25.7
|
1.0
|
CG
|
D:ASP8
|
4.6
|
22.4
|
1.0
|
CA
|
D:ILE9
|
4.7
|
19.6
|
1.0
|
CA
|
F:HIS105
|
4.7
|
22.9
|
1.0
|
CB
|
F:THR106
|
4.7
|
27.1
|
1.0
|
CB
|
D:THR10
|
4.9
|
21.6
|
1.0
|
|
Sodium binding site 8 out
of 8 in 1f7t
Go back to
Sodium Binding Sites List in 1f7t
Sodium binding site 8 out
of 8 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na476
b:35.8
occ:1.00
|
O
|
F:ILE9
|
2.3
|
23.2
|
1.0
|
O
|
E:HOH543
|
2.3
|
39.8
|
1.0
|
O
|
F:HOH539
|
2.4
|
37.0
|
1.0
|
O
|
E:HIS105
|
2.5
|
25.8
|
1.0
|
CL
|
F:CL485
|
2.9
|
33.0
|
1.0
|
C
|
F:ILE9
|
3.5
|
22.1
|
1.0
|
C
|
E:HIS105
|
3.6
|
25.9
|
1.0
|
CG2
|
E:THR106
|
4.0
|
25.2
|
1.0
|
OD2
|
F:ASP8
|
4.0
|
27.2
|
1.0
|
CA
|
F:THR10
|
4.1
|
25.0
|
1.0
|
O
|
F:HOH514
|
4.2
|
47.0
|
1.0
|
OG1
|
E:THR104
|
4.2
|
24.6
|
1.0
|
CA
|
E:THR106
|
4.3
|
26.6
|
1.0
|
N
|
F:THR10
|
4.3
|
24.1
|
1.0
|
OG1
|
F:THR10
|
4.3
|
27.3
|
1.0
|
N
|
E:THR106
|
4.4
|
26.0
|
1.0
|
N
|
F:ILE9
|
4.5
|
21.0
|
1.0
|
NH1
|
F:ARG14
|
4.6
|
50.2
|
1.0
|
O
|
E:HOH518
|
4.6
|
31.5
|
1.0
|
CA
|
F:ILE9
|
4.6
|
20.9
|
1.0
|
N
|
E:HIS105
|
4.6
|
24.2
|
1.0
|
OD1
|
F:ASP8
|
4.6
|
26.7
|
1.0
|
CG
|
F:ASP8
|
4.7
|
26.2
|
1.0
|
CB
|
E:THR106
|
4.7
|
26.9
|
1.0
|
CA
|
E:HIS105
|
4.7
|
26.2
|
1.0
|
CB
|
F:THR10
|
4.8
|
27.4
|
1.0
|
|
Reference:
K.D.Parris,
L.Lin,
A.Tam,
R.Mathew,
J.Hixon,
M.Stahl,
C.C.Fritz,
J.Seehra,
W.S.Somers.
Crystal Structures of Substrate Binding to Bacillus Subtilis Holo-(Acyl Carrier Protein) Synthase Reveal A Novel Trimeric Arrangement of Molecules Resulting in Three Active Sites. Structure Fold.Des. V. 8 883 2000.
ISSN: ISSN 0969-2126
PubMed: 10997907
DOI: 10.1016/S0969-2126(00)00178-7
Page generated: Sun Oct 6 18:28:08 2024
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