Lead in PDB 1qr7: Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep
Enzymatic activity of Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep
All present enzymatic activity of Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep:
4.1.2.15;
Protein crystallography data
The structure of Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep, PDB code: 1qr7
was solved by
I.A.Shumilin,
R.H.Kretsinger,
R.H.Bauerle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
18.00 /
2.60
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
211.731,
51.326,
148.099,
90.00,
116.43,
90.00
|
R / Rfree (%)
|
19.4 /
25.6
|
Lead Binding Sites:
The binding sites of Lead atom in the Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep
(pdb code 1qr7). This binding sites where shown within
5.0 Angstroms radius around Lead atom.
In total 4 binding sites of Lead where determined in the
Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep, PDB code: 1qr7:
Jump to Lead binding site number:
1;
2;
3;
4;
Lead binding site 1 out
of 4 in 1qr7
Go back to
Lead Binding Sites List in 1qr7
Lead binding site 1 out
of 4 in the Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep
 Mono view
 Stereo pair view
|
A full contact list of Lead with other atoms in the Pb binding
site number 1 of Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Pb351
b:41.7
occ:1.00
|
NE2
|
A:HIS268
|
2.8
|
25.1
|
1.0
|
OD2
|
A:ASP326
|
2.9
|
53.1
|
1.0
|
OE2
|
A:GLU302
|
3.0
|
36.1
|
1.0
|
SG
|
A:CYS61
|
3.2
|
34.6
|
1.0
|
CD2
|
A:HIS268
|
3.3
|
21.3
|
1.0
|
CG
|
A:ASP326
|
3.4
|
49.5
|
1.0
|
OE1
|
A:GLU302
|
3.4
|
17.4
|
1.0
|
C3
|
A:PEP1352
|
3.5
|
24.2
|
1.0
|
CD
|
A:GLU302
|
3.6
|
29.4
|
1.0
|
C2
|
A:PEP1352
|
3.6
|
37.8
|
1.0
|
O1
|
A:PEP1352
|
3.7
|
35.1
|
1.0
|
O
|
A:HOH401
|
3.7
|
35.7
|
1.0
|
CB
|
A:ASP326
|
3.7
|
41.3
|
1.0
|
C1
|
A:PEP1352
|
3.8
|
36.0
|
1.0
|
CE1
|
A:HIS268
|
4.0
|
26.7
|
1.0
|
OD1
|
A:ASP326
|
4.1
|
51.0
|
1.0
|
NZ
|
A:LYS97
|
4.1
|
24.3
|
1.0
|
CB
|
A:CYS61
|
4.2
|
31.4
|
1.0
|
O2
|
A:PEP1352
|
4.3
|
43.4
|
1.0
|
O2'
|
A:PEP1352
|
4.5
|
35.9
|
1.0
|
CG
|
A:HIS268
|
4.6
|
25.6
|
1.0
|
CE
|
A:LYS97
|
4.6
|
5.7
|
1.0
|
NH1
|
A:ARG92
|
4.6
|
16.8
|
1.0
|
CA
|
A:CYS61
|
4.6
|
33.9
|
1.0
|
NH2
|
A:ARG92
|
4.7
|
25.6
|
1.0
|
ND1
|
A:HIS268
|
4.9
|
21.0
|
1.0
|
|
Lead binding site 2 out
of 4 in 1qr7
Go back to
Lead Binding Sites List in 1qr7
Lead binding site 2 out
of 4 in the Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep
 Mono view
 Stereo pair view
|
A full contact list of Lead with other atoms in the Pb binding
site number 2 of Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Pb351
b:35.7
occ:1.00
|
NE2
|
B:HIS268
|
2.7
|
17.8
|
1.0
|
OE2
|
B:GLU302
|
2.9
|
34.9
|
1.0
|
OD2
|
B:ASP326
|
3.0
|
42.8
|
1.0
|
CD2
|
B:HIS268
|
3.2
|
25.7
|
1.0
|
SG
|
B:CYS61
|
3.3
|
39.4
|
1.0
|
C3
|
B:PEP2352
|
3.4
|
30.0
|
1.0
|
OE1
|
B:GLU302
|
3.4
|
33.6
|
1.0
|
CG
|
B:ASP326
|
3.4
|
45.4
|
1.0
|
C2
|
B:PEP2352
|
3.5
|
28.9
|
1.0
|
CD
|
B:GLU302
|
3.5
|
39.0
|
1.0
|
O1
|
B:PEP2352
|
3.7
|
39.2
|
1.0
|
O
|
B:HOH402
|
3.7
|
28.5
|
1.0
|
C1
|
B:PEP2352
|
3.7
|
37.0
|
1.0
|
CB
|
B:ASP326
|
3.8
|
40.7
|
1.0
|
CE1
|
B:HIS268
|
3.9
|
38.9
|
1.0
|
NZ
|
B:LYS97
|
4.2
|
34.5
|
1.0
|
CB
|
B:CYS61
|
4.2
|
35.9
|
1.0
|
OD1
|
B:ASP326
|
4.2
|
45.9
|
1.0
|
O2
|
B:PEP2352
|
4.2
|
32.8
|
1.0
|
O2'
|
B:PEP2352
|
4.5
|
29.9
|
1.0
|
CG
|
B:HIS268
|
4.5
|
31.4
|
1.0
|
NH1
|
B:ARG92
|
4.5
|
15.9
|
1.0
|
CE
|
B:LYS97
|
4.6
|
24.0
|
1.0
|
CA
|
B:CYS61
|
4.7
|
32.2
|
1.0
|
NH2
|
B:ARG92
|
4.7
|
20.3
|
1.0
|
ND1
|
B:HIS268
|
4.8
|
25.8
|
1.0
|
CG
|
B:GLU302
|
5.0
|
35.7
|
1.0
|
|
Lead binding site 3 out
of 4 in 1qr7
Go back to
Lead Binding Sites List in 1qr7
Lead binding site 3 out
of 4 in the Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep
 Mono view
 Stereo pair view
|
A full contact list of Lead with other atoms in the Pb binding
site number 3 of Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Pb351
b:40.8
occ:1.00
|
NE2
|
C:HIS268
|
2.8
|
16.6
|
1.0
|
OE2
|
C:GLU302
|
2.9
|
19.9
|
1.0
|
OD2
|
C:ASP326
|
3.0
|
43.8
|
1.0
|
CD2
|
C:HIS268
|
3.3
|
14.8
|
1.0
|
SG
|
C:CYS61
|
3.3
|
13.4
|
1.0
|
CG
|
C:ASP326
|
3.4
|
42.2
|
1.0
|
OE1
|
C:GLU302
|
3.5
|
23.9
|
1.0
|
C3
|
C:PEP3352
|
3.5
|
19.1
|
1.0
|
C2
|
C:PEP3352
|
3.6
|
21.0
|
1.0
|
CD
|
C:GLU302
|
3.6
|
20.0
|
1.0
|
O
|
C:HOH403
|
3.6
|
28.2
|
1.0
|
O1
|
C:PEP3352
|
3.8
|
45.7
|
1.0
|
C1
|
C:PEP3352
|
3.8
|
24.2
|
1.0
|
CB
|
C:ASP326
|
3.8
|
31.1
|
1.0
|
CE1
|
C:HIS268
|
4.0
|
18.5
|
1.0
|
NZ
|
C:LYS97
|
4.1
|
25.5
|
1.0
|
CB
|
C:CYS61
|
4.1
|
17.9
|
1.0
|
OD1
|
C:ASP326
|
4.2
|
34.4
|
1.0
|
O2
|
C:PEP3352
|
4.3
|
35.1
|
1.0
|
O2'
|
C:PEP3352
|
4.5
|
26.8
|
1.0
|
CG
|
C:HIS268
|
4.6
|
18.8
|
1.0
|
NH1
|
C:ARG92
|
4.6
|
8.0
|
1.0
|
CE
|
C:LYS97
|
4.6
|
16.0
|
1.0
|
CA
|
C:CYS61
|
4.6
|
25.4
|
1.0
|
NH2
|
C:ARG92
|
4.7
|
22.0
|
1.0
|
ND1
|
C:HIS268
|
4.9
|
12.7
|
1.0
|
|
Lead binding site 4 out
of 4 in 1qr7
Go back to
Lead Binding Sites List in 1qr7
Lead binding site 4 out
of 4 in the Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep
 Mono view
 Stereo pair view
|
A full contact list of Lead with other atoms in the Pb binding
site number 4 of Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D- Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli Complexed with PB2+ and Pep within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Pb351
b:42.7
occ:1.00
|
NE2
|
D:HIS268
|
2.9
|
11.5
|
1.0
|
OE2
|
D:GLU302
|
2.9
|
32.2
|
1.0
|
OD2
|
D:ASP326
|
2.9
|
33.6
|
1.0
|
SG
|
D:CYS61
|
3.2
|
33.7
|
1.0
|
CG
|
D:ASP326
|
3.3
|
34.9
|
1.0
|
CD2
|
D:HIS268
|
3.4
|
17.1
|
1.0
|
OE1
|
D:GLU302
|
3.4
|
15.0
|
1.0
|
CD
|
D:GLU302
|
3.5
|
24.1
|
1.0
|
C3
|
D:PEP4352
|
3.6
|
18.1
|
1.0
|
O
|
D:HOH404
|
3.7
|
32.1
|
1.0
|
CB
|
D:ASP326
|
3.7
|
33.9
|
1.0
|
C2
|
D:PEP4352
|
3.7
|
31.9
|
1.0
|
O1
|
D:PEP4352
|
3.8
|
38.6
|
1.0
|
C1
|
D:PEP4352
|
3.9
|
34.8
|
1.0
|
CE1
|
D:HIS268
|
4.0
|
27.7
|
1.0
|
CB
|
D:CYS61
|
4.0
|
22.8
|
1.0
|
OD1
|
D:ASP326
|
4.1
|
28.9
|
1.0
|
NZ
|
D:LYS97
|
4.1
|
23.1
|
1.0
|
O2
|
D:PEP4352
|
4.4
|
40.6
|
1.0
|
CE
|
D:LYS97
|
4.5
|
18.9
|
1.0
|
CA
|
D:CYS61
|
4.5
|
20.4
|
1.0
|
O2'
|
D:PEP4352
|
4.6
|
38.0
|
1.0
|
NH1
|
D:ARG92
|
4.6
|
8.2
|
1.0
|
CG
|
D:HIS268
|
4.7
|
15.5
|
1.0
|
NH2
|
D:ARG92
|
4.8
|
12.9
|
1.0
|
ND1
|
D:HIS268
|
5.0
|
19.3
|
1.0
|
|
Reference:
I.A.Shumilin,
R.H.Kretsinger,
R.H.Bauerle.
Crystal Structure of Phenylalanine-Regulated 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Escherichia Coli. Structure Fold.Des. V. 7 865 1999.
ISSN: ISSN 0969-2126
PubMed: 10425687
DOI: 10.1016/S0969-2126(99)80109-9
Page generated: Thu Oct 10 10:01:59 2024
|