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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

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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

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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

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