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Zinc in PDB 2oba: Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase

Enzymatic activity of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase

All present enzymatic activity of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase:
4.2.3.12;

Protein crystallography data

The structure of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase, PDB code: 2oba was solved by T.E.Mcgrath, G.Kisselman, K.Battaile, V.Romanov, J.Wu-Brown, J.Guthrie, C.Virag, K.Mansoury, A.M.Edwards, E.F.Pai, N.Y.Chirgadze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.22 / 2.33
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.082, 87.521, 124.670, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 25.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase (pdb code 2oba). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase, PDB code: 2oba:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 2oba

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Zinc binding site 1 out of 6 in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn200

b:37.8
occ:1.00
 O A:HOH262 2.1 37.2 1.0
OE2 A:GLU107 2.1 52.5 1.0
NE2 A:HIS30 2.2 39.4 1.0
NE2 A:HIS28 2.4 42.1 1.0
NE2 A:HIS13 2.4 47.4 1.0
O A:HOH257 2.5 33.4 1.0
CE1 A:HIS30 3.1 36.2 1.0
CD2 A:HIS28 3.2 39.5 1.0
CD2 A:HIS30 3.2 38.4 1.0
CD A:GLU107 3.2 51.7 1.0
CE1 A:HIS13 3.3 42.8 1.0
CD2 A:HIS13 3.5 45.8 1.0
CE1 A:HIS28 3.6 43.1 1.0
CG A:GLU107 3.8 48.0 1.0
O A:HOH214 4.1 40.0 1.0
OE1 A:GLU107 4.2 51.4 1.0
ND1 A:HIS30 4.3 38.1 1.0
NE2 D:HIS68 4.3 39.5 1.0
CG A:HIS30 4.3 39.1 1.0
CG A:HIS28 4.4 41.8 1.0
ND1 A:HIS13 4.5 44.6 1.0
O A:HOH261 4.5 47.8 1.0
ND1 A:HIS28 4.6 41.2 1.0
CG A:HIS13 4.6 43.9 1.0
CD2 D:HIS68 4.8 42.3 1.0

Zinc binding site 2 out of 6 in 2oba

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Zinc binding site 2 out of 6 in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn200

b:54.1
occ:1.00
 OE2 B:GLU107 2.1 53.3 1.0
NE2 B:HIS28 2.1 40.0 1.0
NE2 B:HIS30 2.3 37.9 1.0
NE2 B:HIS13 2.4 39.7 1.0
O F:HOH214 2.6 47.2 1.0
CE1 B:HIS28 3.1 37.6 1.0
CD2 B:HIS28 3.2 39.0 1.0
CD B:GLU107 3.2 50.6 1.0
CE1 B:HIS13 3.2 40.4 1.0
CE1 B:HIS30 3.2 37.7 1.0
CD2 B:HIS30 3.3 37.3 1.0
CD2 B:HIS13 3.4 40.3 1.0
CG B:GLU107 3.9 49.7 1.0
OE1 B:GLU107 4.1 56.6 1.0
ND1 B:HIS28 4.2 37.7 1.0
CG B:HIS28 4.3 37.9 1.0
ND1 B:HIS30 4.4 38.8 1.0
ND1 B:HIS13 4.4 40.9 1.0
CG B:HIS30 4.4 38.6 1.0
NE2 F:HIS68 4.5 37.0 1.0
CG B:HIS13 4.5 41.5 1.0
SG B:CYS24 4.5 51.4 1.0
CD2 F:HIS68 4.8 38.5 1.0

Zinc binding site 3 out of 6 in 2oba

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Zinc binding site 3 out of 6 in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn200

b:50.9
occ:1.00
 NE2 C:HIS30 2.2 39.5 1.0
NE2 C:HIS13 2.3 40.1 1.0
NE2 C:HIS28 2.3 35.0 1.0
OE1 C:GLU107 3.1 57.8 1.0
CE1 C:HIS13 3.1 39.7 1.0
CE1 C:HIS30 3.2 37.3 1.0
CD2 C:HIS30 3.2 36.9 1.0
CD2 C:HIS28 3.3 37.2 1.0
CE1 C:HIS28 3.3 37.1 1.0
CD2 C:HIS13 3.4 40.0 1.0
CD C:GLU107 3.9 59.0 1.0
OE2 C:GLU107 4.0 60.2 1.0
SG C:CYS24 4.2 51.2 1.0
ND1 C:HIS30 4.3 39.0 1.0
ND1 C:HIS13 4.3 41.9 1.0
CG C:HIS30 4.4 37.7 1.0
NE2 E:HIS68 4.4 42.8 1.0
ND1 C:HIS28 4.4 39.2 1.0
CG C:HIS28 4.4 40.1 1.0
CG C:HIS13 4.5 40.7 1.0
CD2 E:HIS68 4.8 41.6 1.0
CB C:CYS24 4.9 47.5 1.0

Zinc binding site 4 out of 6 in 2oba

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Zinc binding site 4 out of 6 in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn200

b:42.4
occ:1.00
 NE2 D:HIS30 2.2 42.0 1.0
NE2 D:HIS28 2.2 40.5 1.0
NE2 D:HIS13 2.4 42.7 1.0
OE2 D:GLU107 2.5 54.3 1.0
CE1 D:HIS30 3.1 40.0 1.0
CD2 D:HIS28 3.2 40.6 1.0
CE1 D:HIS28 3.2 42.9 1.0
CD2 D:HIS30 3.3 40.3 1.0
CE1 D:HIS13 3.3 36.7 1.0
CD2 D:HIS13 3.4 39.7 1.0
CD D:GLU107 3.4 52.6 1.0
CG D:GLU107 4.1 50.8 1.0
OE1 D:GLU107 4.2 53.9 1.0
ND1 D:HIS30 4.3 41.4 1.0
SG D:CYS24 4.3 51.4 1.0
ND1 D:HIS28 4.4 43.6 1.0
CG D:HIS28 4.4 43.9 1.0
CG D:HIS30 4.4 39.8 1.0
NE2 A:HIS68 4.4 40.2 1.0
ND1 D:HIS13 4.4 41.5 1.0
CG D:HIS13 4.5 39.8 1.0
CD2 A:HIS68 4.9 39.6 1.0
O F:HOH236 4.9 36.5 1.0

Zinc binding site 5 out of 6 in 2oba

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Zinc binding site 5 out of 6 in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn200

b:54.0
occ:1.00
 NE2 E:HIS28 2.3 44.5 1.0
NE2 E:HIS30 2.4 38.9 1.0
OE2 E:GLU107 2.5 57.2 1.0
NE2 E:HIS13 2.5 45.5 1.0
O C:HOH220 2.5 44.5 1.0
CE1 E:HIS30 3.3 37.7 1.0
CD2 E:HIS28 3.3 44.7 1.0
CE1 E:HIS28 3.3 44.8 1.0
CE1 E:HIS13 3.4 42.1 1.0
CD2 E:HIS13 3.4 43.8 1.0
CD2 E:HIS30 3.5 40.2 1.0
CD E:GLU107 3.5 53.9 1.0
CG E:GLU107 4.0 48.6 1.0
O C:HOH242 4.2 51.5 1.0
ND1 E:HIS28 4.4 44.6 1.0
CG E:HIS28 4.4 42.4 1.0
ND1 E:HIS30 4.4 37.7 1.0
OE1 E:GLU107 4.5 56.3 1.0
ND1 E:HIS13 4.5 44.2 1.0
NE2 C:HIS68 4.5 43.2 1.0
CG E:HIS30 4.6 39.9 1.0
CG E:HIS13 4.6 43.3 1.0
CD2 C:HIS68 4.8 41.5 1.0
SG E:CYS24 5.0 49.6 1.0

Zinc binding site 6 out of 6 in 2oba

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Zinc binding site 6 out of 6 in the Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn200

b:56.8
occ:1.00
 NE2 F:HIS30 2.3 41.9 1.0
NE2 F:HIS28 2.3 39.4 1.0
NE2 F:HIS13 2.5 42.0 1.0
OE1 F:GLU107 3.1 55.9 1.0
CE1 F:HIS28 3.2 38.8 1.0
CD2 F:HIS30 3.3 40.0 1.0
CE1 F:HIS30 3.3 40.7 1.0
CE1 F:HIS13 3.3 40.6 1.0
CD2 F:HIS28 3.4 36.5 1.0
CD2 F:HIS13 3.5 42.7 1.0
CD F:GLU107 3.9 51.8 1.0
OE2 F:GLU107 4.1 55.4 1.0
NE2 B:HIS68 4.3 44.0 1.0
ND1 F:HIS28 4.3 38.2 1.0
ND1 F:HIS30 4.4 40.3 1.0
CG F:HIS30 4.4 41.1 1.0
CG F:HIS28 4.5 40.3 1.0
ND1 F:HIS13 4.5 42.6 1.0
CG F:HIS13 4.6 43.1 1.0
CD2 B:HIS68 4.9 42.7 1.0
SG F:CYS24 4.9 51.0 1.0

Reference:

T.E.Mcgrath, G.Kisselman, K.Battaile, V.Romanov, J.Wu-Brown, J.Guthrie, C.Virag, K.Mansoury, A.M.Edwards, E.F.Pai, N.Y.Chirgadze. Pseudomonas Aeruginosa 6-Pyruvoyl Tetrahydrobiopterin Synthase To Be Published.
Page generated: Wed Dec 16 03:45:44 2020

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