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Manganese in PDB 1og0: Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese

Enzymatic activity of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese

All present enzymatic activity of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese:
2.5.1.54;

Protein crystallography data

The structure of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese, PDB code: 1og0 was solved by V.Koenig, A.Pfeil, G.Heinrich, G.H.Braus, T.R.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.83 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 82.154, 93.971, 104.843, 65.39, 85.77, 75.52
R / Rfree (%) 21.3 / 25.5

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese (pdb code 1og0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese, PDB code: 1og0:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 1 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn400

b:48.1
occ:1.00
 OD2 A:ASP342 1.8 51.0 1.0
OE2 A:GLU316 2.0 36.2 1.0
CE1 A:HIS282 2.6 46.9 1.0
NE2 A:HIS282 2.6 50.7 1.0
SG A:CYS76 2.8 46.5 1.0
CG A:ASP342 3.0 45.9 1.0
CD A:GLU316 3.0 37.8 1.0
OE1 A:GLU316 3.5 42.0 1.0
O A:HOH2005 3.6 38.5 1.0
CB A:ASP342 3.6 43.3 1.0
ND1 A:HIS282 3.8 47.3 1.0
CD2 A:HIS282 3.9 49.4 1.0
OD1 A:ASP342 4.0 45.0 1.0
NH2 A:ARG107 4.1 40.1 1.0
CB A:CYS76 4.1 41.9 1.0
CG A:GLU316 4.3 34.5 1.0
CG A:HIS282 4.5 48.9 1.0
CA A:CYS76 4.6 41.8 1.0
O A:CYS76 4.8 44.9 1.0
CA A:ASP342 5.0 44.0 1.0
CZ A:ARG107 5.0 39.7 1.0

Manganese binding site 2 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 2 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn400

b:43.4
occ:1.00
 OE2 B:GLU316 2.1 28.9 1.0
OD2 B:ASP342 2.2 53.7 1.0
SG B:CYS76 2.6 38.6 1.0
NE2 B:HIS282 2.9 47.3 1.0
CD B:GLU316 3.0 35.6 1.0
CG B:ASP342 3.0 49.4 1.0
OE1 B:GLU316 3.1 39.5 1.0
CB B:ASP342 3.2 45.4 1.0
CD2 B:HIS282 3.5 48.1 1.0
CB B:CYS76 3.8 38.6 1.0
CE1 B:HIS282 4.0 50.4 1.0
OD1 B:ASP342 4.2 49.6 1.0
CG B:GLU316 4.4 34.3 1.0
NH2 B:ARG107 4.4 41.6 1.0
CA B:CYS76 4.5 39.3 1.0
CA B:ASP342 4.6 46.5 1.0
CG B:HIS282 4.7 47.3 1.0
O B:CYS76 4.8 45.9 1.0
N B:ASP342 4.9 48.8 1.0
ND1 B:HIS282 5.0 49.5 1.0

Manganese binding site 3 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 3 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn400

b:42.8
occ:1.00
 O C:HOH2014 2.2 23.5 1.0
OE2 C:GLU316 2.3 50.7 1.0
NE2 C:HIS282 2.4 42.0 1.0
SG C:CYS76 2.5 45.5 1.0
OD1 C:ASP342 2.6 50.2 1.0
OE1 C:GLU316 2.8 50.2 1.0
CD C:GLU316 2.9 48.3 1.0
CE1 C:HIS282 3.3 44.5 1.0
CG C:ASP342 3.3 51.4 1.0
CB C:ASP342 3.5 49.7 1.0
CD2 C:HIS282 3.5 42.9 1.0
CB C:CYS76 3.7 45.7 1.0
NH2 C:ARG107 3.7 39.8 1.0
O C:HOH2002 3.8 40.9 1.0
CA C:CYS76 4.2 43.9 1.0
CG C:GLU316 4.4 46.5 1.0
OD2 C:ASP342 4.4 55.5 1.0
ND1 C:HIS282 4.5 44.4 1.0
CZ C:ARG107 4.6 40.9 1.0
O C:CYS76 4.6 43.2 1.0
CG C:HIS282 4.6 44.9 1.0
C C:CYS76 4.8 44.8 1.0
CA C:ASP342 4.8 51.9 1.0
N C:ASP342 5.0 55.0 1.0

Manganese binding site 4 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 4 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn400

b:37.5
occ:1.00
 OD2 D:ASP342 2.2 36.8 1.0
OE2 D:GLU316 2.2 41.9 1.0
SG D:CYS76 2.5 33.7 1.0
NE2 D:HIS282 2.5 45.7 1.0
CG D:ASP342 3.2 35.7 1.0
CD D:GLU316 3.2 39.5 1.0
CD2 D:HIS282 3.4 41.1 1.0
CB D:ASP342 3.5 33.8 1.0
OE1 D:GLU316 3.6 42.2 1.0
CE1 D:HIS282 3.6 45.3 1.0
CB D:CYS76 3.7 41.7 1.0
NH2 D:ARG107 4.2 26.4 1.0
OD1 D:ASP342 4.3 40.1 1.0
CA D:CYS76 4.3 38.3 1.0
CG D:GLU316 4.6 37.3 1.0
CG D:HIS282 4.6 43.2 1.0
O D:CYS76 4.6 41.5 1.0
ND1 D:HIS282 4.7 45.1 1.0
CG D:LYS112 4.8 63.7 1.0
C D:CYS76 4.8 40.2 1.0
CA D:ASP342 4.8 35.4 1.0
O D:HOH2004 4.9 35.4 1.0
N D:ASP342 5.0 36.9 1.0

Manganese binding site 5 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 5 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn400

b:56.2
occ:1.00
 OE2 E:GLU316 2.1 61.7 1.0
OD2 E:ASP342 2.2 62.1 1.0
NE2 E:HIS282 2.6 50.9 1.0
SG E:CYS76 2.6 51.7 1.0
CD E:GLU316 3.0 60.8 1.0
CG E:ASP342 3.2 63.6 1.0
OE1 E:GLU316 3.3 62.2 1.0
CB E:ASP342 3.5 63.7 1.0
CD2 E:HIS282 3.5 50.4 1.0
CE1 E:HIS282 3.6 51.4 1.0
CB E:CYS76 3.9 44.9 1.0
NH2 E:ARG107 4.1 44.7 1.0
OD1 E:ASP342 4.3 63.0 1.0
CG E:GLU316 4.3 58.1 1.0
CA E:CYS76 4.4 45.8 1.0
CG E:HIS282 4.7 50.4 1.0
ND1 E:HIS282 4.7 52.6 1.0
O E:CYS76 4.8 50.0 1.0
CA E:ASP342 4.9 64.9 1.0
CZ E:ARG107 4.9 48.2 1.0
C E:CYS76 5.0 48.1 1.0

Manganese binding site 6 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 6 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn400

b:40.5
occ:1.00
 OE2 F:GLU316 2.0 25.0 1.0
OD2 F:ASP342 2.4 43.2 1.0
NE2 F:HIS282 2.5 35.5 1.0
SG F:CYS76 2.6 33.1 1.0
CD F:GLU316 2.9 32.8 1.0
CG F:ASP342 3.2 35.9 1.0
OE1 F:GLU316 3.2 38.4 1.0
CE1 F:HIS282 3.3 35.6 1.0
CD2 F:HIS282 3.5 35.1 1.0
CB F:ASP342 3.6 31.9 1.0
CB F:CYS76 3.9 40.2 1.0
O F:HOH2001 3.9 41.5 1.0
NH2 F:ARG107 4.2 39.2 1.0
OD1 F:ASP342 4.3 40.1 1.0
CG F:GLU316 4.3 28.9 1.0
CA F:CYS76 4.4 40.3 1.0
ND1 F:HIS282 4.5 37.2 1.0
CG F:HIS282 4.6 36.9 1.0
O F:CYS76 4.7 41.6 1.0
CA F:ASP342 4.8 32.7 1.0
N F:ASP342 4.9 32.0 1.0
C F:CYS76 5.0 41.4 1.0

Manganese binding site 7 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 7 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn400

b:58.1
occ:1.00
 OE2 G:GLU316 2.2 67.2 1.0
NE2 G:HIS282 2.3 61.1 1.0
OD2 G:ASP342 2.5 66.7 1.0
SG G:CYS76 2.6 47.4 1.0
CD G:GLU316 3.0 67.5 1.0
CE1 G:HIS282 3.0 62.3 1.0
OE1 G:GLU316 3.1 69.0 1.0
NH2 G:ARG107 3.4 57.9 1.0
CG G:ASP342 3.5 67.2 1.0
CD2 G:HIS282 3.5 59.5 1.0
CB G:CYS76 3.8 45.9 1.0
CB G:ASP342 3.9 65.4 1.0
CD G:LYS112 4.0 77.2 1.0
CE G:LYS112 4.1 73.7 1.0
CA G:CYS76 4.3 46.5 1.0
ND1 G:HIS282 4.3 60.1 1.0
CG G:GLU316 4.4 64.4 1.0
CZ G:ARG107 4.5 57.3 1.0
O G:CYS76 4.5 50.7 1.0
OD1 G:ASP342 4.5 68.5 1.0
CG G:HIS282 4.5 59.8 1.0
C G:CYS76 4.8 48.5 1.0
NZ G:LYS112 4.8 68.0 1.0
NH1 G:ARG107 5.0 55.4 1.0

Manganese binding site 8 out of 8 in 1og0

Go back to Manganese Binding Sites List in 1og0
Manganese binding site 8 out of 8 in the Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3- Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn400

b:43.0
occ:1.00
 OE2 H:GLU316 2.2 41.6 1.0
OD2 H:ASP342 2.3 48.7 1.0
NE2 H:HIS282 2.3 54.5 1.0
SG H:CYS76 2.5 41.4 1.0
CD H:GLU316 3.0 44.6 1.0
OE1 H:GLU316 3.2 48.5 1.0
CG H:ASP342 3.2 45.1 1.0
CD2 H:HIS282 3.3 53.0 1.0
CE1 H:HIS282 3.3 57.0 1.0
CB H:ASP342 3.5 44.7 1.0
CB H:CYS76 3.7 41.0 1.0
CA H:CYS76 4.2 42.3 1.0
NH2 H:ARG107 4.3 51.8 1.0
OD1 H:ASP342 4.4 49.4 1.0
ND1 H:HIS282 4.4 55.5 1.0
CG H:HIS282 4.4 53.9 1.0
CG H:GLU316 4.4 43.3 1.0
O H:CYS76 4.6 44.3 1.0
C H:CYS76 4.8 43.4 1.0
CA H:ASP342 4.8 46.6 1.0

Reference:

V.Koenig, A.Pfeil, G.Heinrich, G.H.Braus, T.R.Schneider. Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3-Deoxy-D-Arabino-Heptulosonate -7-Phosphate Synthase From Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese To Be Published.
Page generated: Sat Oct 5 11:57:11 2024

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