Manganese in PDB 7txa: Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P

Protein crystallography data

The structure of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P, PDB code: 7txa was solved by C.Abad-Zapatero, A.I.Selezneva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.10 / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 66.394, 76.628, 141.465, 76.84, 87.24, 75.71
R / Rfree (%) 19.6 / 24.8

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Manganese atom in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P (pdb code 7txa). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 11 binding sites of Manganese where determined in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P, PDB code: 7txa:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 11 in 7txa

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Manganese binding site 1 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:87.1
occ:1.00
 OD1 A:ASP84 2.1 50.0 1.0
OD2 A:ASP84 2.4 42.0 1.0
O A:HOH508 2.5 40.5 1.0
CG A:ASP84 2.5 41.2 1.0
O A:LEU86 2.6 43.2 1.0
C A:LEU86 3.4 40.4 1.0
O A:HOH553 4.0 42.4 1.0
N A:GLU87 4.0 35.8 1.0
CB A:ASP84 4.0 37.0 1.0
O A:HOH554 4.1 64.6 1.0
N A:LEU86 4.1 32.5 1.0
O A:HOH538 4.1 51.4 1.0
OE1 A:GLU57 4.2 44.2 1.0
CA A:GLU87 4.2 33.3 1.0
CA A:LEU86 4.3 37.8 1.0
OD1 A:ASP33 4.4 46.8 1.0
OE2 A:GLU57 4.4 52.2 1.0
CA A:ASP84 4.7 41.0 1.0
CD A:GLU57 4.7 48.6 1.0
CG2 A:THR89 4.8 43.7 1.0
C A:ASP84 4.9 41.4 1.0
CD A:PRO85 4.9 40.2 1.0
N A:PRO85 4.9 40.5 1.0
OD2 A:ASP33 5.0 55.8 1.0

Manganese binding site 2 out of 11 in 7txa

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Manganese binding site 2 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:51.4
occ:1.00
 O A:HOH538 2.2 51.4 1.0
OE2 A:GLU214 2.3 53.3 1.0
OE1 A:GLU214 2.6 44.1 1.0
O A:HOH553 2.6 42.4 1.0
CD A:GLU214 2.8 45.1 1.0
O A:HOH508 4.0 40.5 1.0
CG A:GLU214 4.4 36.2 1.0
CG A:PRO213 4.8 39.5 1.0
OD2 A:ASP116 4.8 63.3 1.0
OD1 A:ASP116 4.9 55.2 1.0
CA A:GLY211 5.0 38.3 1.0

Manganese binding site 3 out of 11 in 7txa

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Manganese binding site 3 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:58.9
occ:1.00
 O B:HOH503 2.1 41.1 1.0
O B:HOH511 2.2 47.7 1.0
OD1 B:ASP84 2.2 55.7 1.0
OD2 B:ASP84 2.4 47.7 1.0
OE1 B:GLU57 2.5 77.0 1.0
O B:LEU86 2.5 51.0 1.0
CG B:ASP84 2.6 49.1 1.0
C B:LEU86 3.5 43.0 1.0
CD B:GLU57 3.6 76.7 1.0
OE2 B:GLU57 4.1 64.3 1.0
CB B:ASP84 4.2 45.0 1.0
N B:LEU86 4.2 47.0 1.0
N B:GLU87 4.3 40.0 1.0
CG2 B:THR89 4.3 47.6 1.0
CA B:GLU87 4.3 41.2 1.0
CA B:LEU86 4.4 41.5 1.0
OD1 B:ASP33 4.5 49.4 1.0
CA B:ASP84 4.8 47.7 1.0
CD B:PRO85 4.8 48.6 1.0
OD2 B:ASP33 4.8 60.2 1.0
N B:PRO85 4.9 46.9 1.0
CG B:GLU57 5.0 73.9 1.0
C B:ASP84 5.0 46.7 1.0

Manganese binding site 4 out of 11 in 7txa

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Manganese binding site 4 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn402

b:57.2
occ:1.00
 OE2 C:GLU57 2.1 63.8 1.0
OD1 C:ASP84 2.2 53.9 1.0
OE1 C:GLU57 2.3 91.5 1.0
CD C:GLU57 2.3 76.2 1.0
OD2 C:ASP84 2.5 48.9 1.0
CG C:ASP84 2.7 44.5 1.0
O C:LEU86 2.8 35.6 1.0
O4 C:F6P401 2.9 66.2 1.0
O3 C:F6P401 3.5 68.1 1.0
O C:HOH507 3.6 39.8 1.0
C4 C:F6P401 3.6 75.3 1.0
C C:LEU86 3.6 41.7 1.0
CG C:GLU57 3.7 74.6 1.0
CA C:GLU87 4.0 41.4 1.0
C3 C:F6P401 4.1 63.0 1.0
N C:GLU87 4.1 40.3 1.0
O C:GLU57 4.2 89.0 1.0
CB C:ASP84 4.2 42.5 1.0
C C:GLU57 4.2 90.8 1.0
CA C:GLU57 4.4 85.3 1.0
OE1 C:GLU87 4.5 51.9 1.0
CB C:GLU57 4.5 83.8 1.0
N C:LEU86 4.6 42.4 1.0
OE2 C:GLU214 4.7 55.2 1.0
N C:GLY58 4.7 97.6 1.0
CA C:LEU86 4.7 39.3 1.0
CA C:ASP84 4.8 44.3 1.0
N C:GLY88 4.8 36.8 1.0
CB C:GLU87 4.9 39.1 1.0
C5 C:F6P401 4.9 76.8 1.0

Manganese binding site 5 out of 11 in 7txa

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Manganese binding site 5 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn401

b:51.3
occ:1.00
 OD1 D:ASP84 2.1 38.7 1.0
O D:HOH520 2.1 34.3 1.0
O D:HOH562 2.2 42.0 1.0
O D:LEU86 2.3 31.9 1.0
O D:HOH566 2.4 41.5 1.0
OD2 D:ASP84 2.4 37.2 1.0
CG D:ASP84 2.6 36.1 1.0
C D:LEU86 3.2 35.7 1.0
N D:GLU87 3.9 33.2 1.0
N D:LEU86 4.0 29.7 1.0
CB D:ASP84 4.0 35.3 1.0
CA D:GLU87 4.1 30.3 1.0
CA D:LEU86 4.2 33.9 1.0
O D:HOH570 4.4 49.9 1.0
OE1 D:GLU57 4.5 44.4 1.0
OD1 D:ASP33 4.5 40.1 1.0
CA D:ASP84 4.5 37.0 1.0
CG2 D:THR89 4.7 35.8 1.0
C D:ASP84 4.7 38.3 1.0
OE2 D:GLU57 4.7 58.4 1.0
O D:HOH521 4.7 35.2 1.0
N D:PRO85 4.8 37.7 1.0
CD D:PRO85 4.8 39.0 1.0
O D:HOH563 4.9 52.5 1.0
CB D:GLU87 4.9 31.1 1.0
CB D:LEU86 4.9 31.5 1.0
OE1 D:GLU87 5.0 38.2 1.0

Manganese binding site 6 out of 11 in 7txa

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Manganese binding site 6 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn402

b:56.6
occ:1.00
 O D:HOH570 2.1 49.9 1.0
O D:HOH563 2.2 52.5 1.0
OE2 D:GLU214 2.3 50.0 1.0
O D:HOH573 2.4 48.0 1.0
OE1 D:GLU214 2.5 36.1 1.0
CD D:GLU214 2.8 39.4 1.0
OD2 D:ASP116 3.9 47.4 1.0
OD1 D:ASP116 4.0 45.5 1.0
CG D:GLU214 4.3 33.9 1.0
CG D:ASP116 4.4 47.6 1.0
CG D:PRO213 4.6 31.2 1.0

Manganese binding site 7 out of 11 in 7txa

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Manganese binding site 7 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Mn401

b:64.2
occ:1.00
 O Q:HOH534 1.9 42.6 1.0
OE2 Q:GLU214 2.2 41.6 1.0
CD Q:GLU214 3.2 39.8 1.0
O Q:HOH513 3.5 37.8 1.0
OE1 Q:GLU214 3.5 33.2 1.0
O Q:HOH503 4.1 46.4 1.0
CG Q:GLU214 4.6 32.2 1.0
OD2 Q:ASP116 4.7 55.2 1.0
OD1 Q:ASP116 4.8 49.1 1.0

Manganese binding site 8 out of 11 in 7txa

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Manganese binding site 8 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Mn402

b:44.0
occ:1.00
 O Q:HOH525 2.1 31.9 1.0
OD1 Q:ASP84 2.1 36.1 1.0
O Q:HOH513 2.3 37.8 1.0
O Q:LEU86 2.4 34.2 1.0
OD2 Q:ASP84 2.5 33.6 1.0
CG Q:ASP84 2.7 32.9 1.0
C Q:LEU86 3.4 33.3 1.0
OE2 Q:GLU57 3.9 44.1 1.0
CB Q:ASP84 4.2 31.0 1.0
N Q:GLU87 4.2 29.9 1.0
CA Q:GLU87 4.2 34.0 1.0
N Q:LEU86 4.2 38.0 1.0
O Q:HOH551 4.2 30.0 1.0
O Q:HOH502 4.4 41.5 1.0
OD1 Q:ASP33 4.4 42.5 1.0
CA Q:LEU86 4.4 36.0 1.0
O Q:HOH532 4.5 31.9 1.0
CA Q:ASP84 4.7 33.4 1.0
CD Q:PRO85 4.8 34.1 1.0
C Q:ASP84 4.8 33.9 1.0
CD Q:GLU57 4.8 44.5 1.0
OE1 Q:GLU87 4.9 38.4 1.0
N Q:PRO85 4.9 35.5 1.0
OE1 Q:GLU57 5.0 40.8 1.0

Manganese binding site 9 out of 11 in 7txa

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Manganese binding site 9 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Mn401

b:72.9
occ:1.00
 O U:HOH501 1.9 34.7 1.0
OD1 U:ASP84 2.1 44.3 1.0
OE2 U:GLU57 2.4 71.7 1.0
OD2 U:ASP84 2.4 42.1 1.0
CG U:ASP84 2.6 39.5 1.0
O U:LEU86 2.6 34.9 1.0
C U:LEU86 3.5 33.9 1.0
CD U:GLU57 3.7 66.5 1.0
N U:GLU87 4.0 31.4 1.0
CB U:ASP84 4.1 41.8 1.0
CA U:GLU87 4.1 32.1 1.0
N U:LEU86 4.3 38.5 1.0
OE1 U:GLU57 4.4 54.2 1.0
CA U:LEU86 4.5 31.8 1.0
CA U:ASP84 4.7 41.9 1.0
OD1 U:ASP33 4.7 49.3 1.0
CG U:GLU57 4.7 53.7 1.0
CG2 U:THR89 4.7 37.0 1.0
CD U:PRO85 4.9 37.6 1.0
CB U:GLU87 4.9 33.6 1.0
C U:ASP84 4.9 41.9 1.0
N U:PRO85 5.0 39.8 1.0

Manganese binding site 10 out of 11 in 7txa

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Manganese binding site 10 out of 11 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ and Product F6P within 5.0Å range:
probe atom residue distance (Å) B Occ
W:Mn401

b:56.8
occ:1.00
 O W:HOH505 2.0 51.4 1.0
OD1 W:ASP84 2.2 51.7 1.0
O W:HOH504 2.2 47.0 1.0
OE2 W:GLU57 2.3 70.8 1.0
OD2 W:ASP84 2.4 46.3 1.0
O W:LEU86 2.5 51.6 1.0
CG W:ASP84 2.6 47.2 1.0
O W:HOH510 2.8 43.0 1.0
C W:LEU86 3.4 45.0 1.0
CD W:GLU57 3.5 69.4 1.0
N W:LEU86 4.0 43.1 1.0
CB W:ASP84 4.1 46.7 1.0
CG W:GLU57 4.1 64.2 1.0
N W:GLU87 4.2 40.8 1.0
CA W:LEU86 4.3 44.0 1.0
OD1 W:ASP33 4.3 56.7 1.0
CA W:GLU87 4.3 44.2 1.0
CD W:PRO85 4.5 52.6 1.0
OE1 W:GLU57 4.5 48.6 1.0
CA W:ASP84 4.6 46.2 1.0
CG2 W:THR89 4.7 39.0 1.0
N W:PRO85 4.8 45.0 1.0
CB W:LEU86 4.8 44.2 1.0
C W:ASP84 4.8 46.1 1.0

Reference:

A.I.Selezneva, L.N.M.Harding, H.J.Gutka, F.Movahedzadeh, C.Abad-Zapatero. New Structures of Class II Fructose-1,6-Bisphosphatase From Francisella Tularensis Provide A Framework For A Novel Catalytic Mechanism For the Entire Class To Be Published.
Page generated: Fri Jul 28 02:07:20 2023

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