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Zinc in PDB 3q94: The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'

Enzymatic activity of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'

All present enzymatic activity of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor':
4.1.2.13;

Protein crystallography data

The structure of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor', PDB code: 3q94 was solved by K.Tan, M.Zhou, K.Kwon, W.F.Anderson, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.51 / 2.30
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 95.155, 95.155, 155.967, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 22.2

Other elements in 3q94:

The structure of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' (pdb code 3q94). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor', PDB code: 3q94:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 10 in 3q94

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Zinc binding site 1 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:19.7
occ:1.00
 NE2 A:HIS181 2.1 19.8 1.0
O3 A:13P321 2.1 36.4 1.0
ND1 A:HIS209 2.2 16.2 1.0
NE2 A:HIS86 2.2 18.2 1.0
CE1 A:HIS181 2.9 7.0 1.0
CE1 A:HIS209 3.1 17.8 1.0
CD2 A:HIS86 3.1 19.4 1.0
O2 A:13P321 3.1 25.7 1.0
CE1 A:HIS86 3.2 20.3 1.0
CD2 A:HIS181 3.2 17.8 1.0
CG A:HIS209 3.2 20.6 1.0
C3 A:13P321 3.3 34.1 1.0
CB A:HIS209 3.6 24.5 1.0
C2 A:13P321 3.6 28.6 1.0
ND1 A:HIS181 4.1 23.6 1.0
ND2 A:ASN231 4.1 19.7 1.0
NE2 A:HIS209 4.2 23.7 1.0
CG A:HIS86 4.2 22.9 1.0
ND1 A:HIS86 4.2 19.1 1.0
CG A:HIS181 4.3 16.9 1.0
OD1 A:ASP85 4.3 30.5 1.0
CD2 A:HIS209 4.3 19.8 1.0
OD2 A:ASP85 4.4 36.7 1.0
CA A:HIS209 4.7 22.5 1.0
CG1 A:VAL141 4.7 20.2 1.0
CG A:ASP85 4.8 27.9 1.0
CG2 A:VAL141 4.8 17.9 1.0
N A:GLY210 4.9 22.6 1.0
O A:HOH332 5.0 30.1 1.0
O A:HOH329 5.0 14.9 1.0

Zinc binding site 2 out of 10 in 3q94

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Zinc binding site 2 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:47.3
occ:0.70
 NE2 A:HIS111 2.4 35.0 1.0
O A:HOH466 2.9 30.4 1.0
CD2 A:HIS111 3.1 29.6 1.0
CE1 A:HIS111 3.6 43.5 1.0
O A:SER88 3.7 37.1 1.0
O A:ASP107 4.3 32.7 1.0
CG A:HIS111 4.3 33.7 1.0
ND1 A:HIS111 4.6 42.7 1.0
C A:SER88 4.8 27.8 1.0
CA A:ALA108 4.8 24.3 1.0

Zinc binding site 3 out of 10 in 3q94

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Zinc binding site 3 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:33.8
occ:0.80
 ND1 A:HIS56 2.2 29.2 1.0
O B:HOH429 2.4 11.2 1.0
CE1 A:HIS56 3.1 33.2 1.0
CG A:HIS56 3.1 26.1 1.0
CB A:HIS56 3.4 8.0 1.0
O A:HOH318 3.8 37.5 1.0
CB B:ARG258 3.9 43.9 1.0
CA A:HIS56 3.9 18.2 1.0
NH1 B:ARG265 4.1 22.5 1.0
CD B:ARG258 4.2 68.1 1.0
NE2 A:HIS56 4.2 33.4 1.0
CD2 A:HIS56 4.3 29.1 1.0
CG B:ARG258 4.6 53.5 1.0
O B:HOH308 4.7 15.9 1.0
N A:HIS56 4.8 22.5 1.0
CA B:ARG258 4.9 34.3 1.0

Zinc binding site 4 out of 10 in 3q94

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Zinc binding site 4 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:57.6
occ:0.50
 CE1 A:HIS163 2.8 69.9 1.0
NE2 A:HIS163 2.8 73.2 1.0
O A:HOH459 2.9 52.2 1.0
OE1 A:GLU114 3.2 74.0 1.0
OE2 A:GLU114 3.4 70.3 1.0
CD A:GLU114 3.7 70.8 1.0
ND1 A:HIS163 3.9 65.3 1.0
CD2 A:HIS163 4.0 69.4 1.0
CG1 A:VAL117 4.2 19.9 1.0
CG A:HIS163 4.5 59.4 1.0
CB A:ALA167 4.6 29.1 1.0
CG2 A:VAL117 4.9 23.2 1.0
CB A:VAL117 4.9 24.6 1.0

Zinc binding site 5 out of 10 in 3q94

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Zinc binding site 5 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn286

b:33.9
occ:1.00
 OE2 A:GLU235 2.1 38.2 1.0
OE2 A:GLU239 2.1 20.9 1.0
CD A:GLU235 3.0 31.4 1.0
CD A:GLU239 3.2 26.8 1.0
OE1 A:GLU235 3.3 31.5 1.0
CG A:GLU239 3.6 20.0 1.0
OE1 A:GLU239 4.2 34.6 1.0
NZ A:LYS242 4.3 41.7 1.0
CG A:GLU235 4.4 23.1 1.0
CG2 A:ILE238 4.6 19.2 1.0

Zinc binding site 6 out of 10 in 3q94

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Zinc binding site 6 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn305

b:63.3
occ:0.60
 O B:HOH430 2.4 36.2 1.0
OE2 B:GLU196 2.5 50.0 1.0
O B:HOH366 2.6 44.7 1.0
CD B:GLU196 3.2 48.1 1.0
OE1 B:GLU196 3.3 54.9 1.0
O B:HOH449 4.1 29.4 1.0
CG B:GLU196 4.6 37.4 1.0

Zinc binding site 7 out of 10 in 3q94

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Zinc binding site 7 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:21.2
occ:1.00
 NE2 B:HIS181 2.1 22.6 1.0
NE2 B:HIS86 2.2 13.3 1.0
ND1 B:HIS209 2.2 16.4 1.0
O3 B:13P321 2.2 26.2 1.0
CE1 B:HIS181 2.9 20.4 1.0
CE1 B:HIS209 3.1 21.3 1.0
O2 B:13P321 3.1 21.0 1.0
CD2 B:HIS86 3.1 11.5 1.0
CE1 B:HIS86 3.2 15.4 1.0
CD2 B:HIS181 3.2 23.1 1.0
CG B:HIS209 3.3 16.9 1.0
C3 B:13P321 3.4 25.6 1.0
C2 B:13P321 3.7 27.0 1.0
CB B:HIS209 3.7 12.8 1.0
ND2 B:ASN231 4.0 21.5 1.0
ND1 B:HIS181 4.1 21.0 1.0
NE2 B:HIS209 4.2 24.9 1.0
OD1 B:ASP85 4.3 17.3 1.0
CG B:HIS181 4.3 24.0 1.0
CG B:HIS86 4.3 20.4 1.0
ND1 B:HIS86 4.3 18.8 1.0
CD2 B:HIS209 4.4 21.8 1.0
OD2 B:ASP85 4.4 25.7 1.0
CA B:HIS209 4.7 16.8 1.0
CG B:ASP85 4.7 23.5 1.0
N B:GLY210 4.9 19.7 1.0
CG2 B:VAL141 4.9 18.1 1.0
C1 B:13P321 5.0 30.3 1.0

Zinc binding site 8 out of 10 in 3q94

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Zinc binding site 8 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn302

b:38.9
occ:0.80
 ND1 B:HIS56 2.4 24.0 1.0
O A:HOH315 2.5 34.7 1.0
O B:HOH314 2.8 30.1 1.0
CG B:HIS56 3.4 27.4 1.0
CE1 B:HIS56 3.4 26.9 1.0
CB B:HIS56 3.5 18.2 1.0
CA B:HIS56 3.8 18.0 1.0
NH1 A:ARG265 4.1 27.5 1.0
CD A:ARG258 4.3 48.4 1.0
CD2 B:HIS56 4.5 26.1 1.0
NE2 B:HIS56 4.5 26.2 1.0
CB A:ARG258 4.6 31.4 1.0
N B:HIS56 4.6 21.8 1.0
NH1 A:ARG258 4.6 68.8 1.0
O B:HOH485 4.7 26.1 1.0
NH2 A:ARG265 4.8 36.1 1.0
CZ A:ARG265 4.9 32.6 1.0
C B:HIS56 4.9 23.3 1.0
CG A:ARG258 4.9 36.3 1.0
O B:HIS56 5.0 23.2 1.0

Zinc binding site 9 out of 10 in 3q94

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Zinc binding site 9 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn303

b:24.1
occ:1.00
 ND1 B:HIS111 2.1 14.1 1.0
OE1 B:GLU115 2.1 20.3 1.0
OE2 B:GLU115 2.7 19.2 1.0
CD B:GLU115 2.7 22.1 1.0
CG B:HIS111 3.0 21.0 1.0
CE1 B:HIS111 3.0 12.2 1.0
CB B:HIS111 3.3 17.7 1.0
CD B:PRO112 4.0 11.7 1.0
NE2 B:HIS111 4.1 16.2 1.0
CD2 B:HIS111 4.2 18.4 1.0
CA B:HIS111 4.2 20.0 1.0
CG B:GLU115 4.2 21.9 1.0
CB B:GLU115 4.8 19.5 1.0
N B:PRO112 4.9 17.4 1.0

Zinc binding site 10 out of 10 in 3q94

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Zinc binding site 10 out of 10 in the The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn286

b:42.7
occ:0.50
 NE2 B:HIS110 2.4 41.6 1.0
CD2 B:HIS110 3.3 34.8 1.0
CE1 B:HIS110 3.4 38.6 1.0
CG B:HIS110 4.5 36.0 1.0
ND1 B:HIS110 4.5 40.1 1.0

Reference:

K.Tan, M.Zhou, K.Kwon, W.F.Anderson, A.Joachimiak. The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor'. To Be Published.
Page generated: Sat Oct 26 11:56:17 2024

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