Zinc in PDB 3qm3: 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni

Enzymatic activity of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni

All present enzymatic activity of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni:
4.1.2.13;

Protein crystallography data

The structure of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni, PDB code: 3qm3 was solved by G.Minasov, Z.Wawrzak, T.Skarina, O.Onopriyenko, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.66 / 1.85
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 76.996, 101.971, 105.662, 113.27, 95.34, 95.75
R / Rfree (%) 14.9 / 19.1

Other elements in 3qm3:

The structure of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni (pdb code 3qm3). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni, PDB code: 3qm3:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 3qm3

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Zinc binding site 1 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn355

b:16.3
occ:1.00
 NE2 A:HIS221 2.0 16.2 1.0
NE2 A:HIS105 2.1 15.4 1.0
OE1 A:GLU169 2.2 11.9 1.0
O A:HOH362 2.2 8.0 1.0
ND1 A:HIS260 2.2 14.2 1.0
OE2 A:GLU169 2.2 13.2 1.0
CD A:GLU169 2.5 12.4 1.0
CE1 A:HIS221 2.9 14.6 1.0
CE1 A:HIS260 3.0 14.5 1.0
CD2 A:HIS105 3.0 13.8 1.0
CD2 A:HIS221 3.1 18.5 1.0
CE1 A:HIS105 3.1 18.1 1.0
CG A:HIS260 3.4 12.8 1.0
CB A:HIS260 3.8 11.1 1.0
O A:HOH1313 4.0 22.5 1.0
CG A:GLU169 4.0 13.1 1.0
ND1 A:HIS221 4.1 17.1 1.0
NE2 A:HIS260 4.2 12.9 1.0
CG A:HIS105 4.2 15.0 1.0
CG A:HIS221 4.2 20.3 1.0
ND1 A:HIS105 4.2 15.6 1.0
O A:HOH396 4.2 13.4 1.0
O A:HOH1124 4.2 19.9 1.0
OD2 A:ASP139 4.3 12.9 1.0
CD2 A:HIS260 4.4 13.0 1.0
O A:HOH1899 4.6 28.2 1.0
CG A:ASP139 4.7 12.7 1.0
CE A:MET137 4.8 15.3 1.0
CB A:GLU169 4.8 12.7 1.0

Zinc binding site 2 out of 8 in 3qm3

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Zinc binding site 2 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn355

b:24.2
occ:1.00
 NE2 B:HIS221 2.0 22.8 1.0
OE1 B:GLU169 2.1 20.1 1.0
NE2 B:HIS105 2.1 19.1 1.0
O B:HOH2086 2.3 13.3 1.0
ND1 B:HIS260 2.3 17.9 1.0
OE2 B:GLU169 2.4 20.0 1.0
CD B:GLU169 2.5 21.8 1.0
CE1 B:HIS221 2.9 25.3 1.0
CD2 B:HIS105 3.0 20.5 1.0
CD2 B:HIS221 3.1 27.9 1.0
CE1 B:HIS105 3.1 21.2 1.0
CE1 B:HIS260 3.1 20.6 1.0
CG B:HIS260 3.4 18.1 1.0
CB B:HIS260 3.8 19.0 1.0
O B:HOH1990 4.0 17.7 1.0
ND1 B:HIS221 4.0 27.0 1.0
CG B:GLU169 4.1 22.0 1.0
CG B:HIS221 4.2 31.5 1.0
OD2 B:ASP139 4.2 22.7 1.0
CG B:HIS105 4.2 21.0 1.0
O B:HOH2379 4.2 22.2 1.0
ND1 B:HIS105 4.2 21.2 1.0
O B:HOH1486 4.3 14.7 1.0
NE2 B:HIS260 4.3 16.7 1.0
CD2 B:HIS260 4.5 19.2 1.0
O B:HOH2110 4.7 27.1 1.0
CG B:ASP139 4.7 20.5 1.0
CB B:GLU169 4.9 21.3 1.0
CE B:MET137 4.9 25.7 1.0

Zinc binding site 3 out of 8 in 3qm3

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Zinc binding site 3 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn355

b:18.5
occ:1.00
 OE1 C:GLU169 2.1 12.8 1.0
NE2 C:HIS105 2.1 18.1 1.0
NE2 C:HIS221 2.1 21.5 1.0
O C:HOH371 2.2 6.7 1.0
ND1 C:HIS260 2.2 13.6 1.0
OE2 C:GLU169 2.3 16.9 1.0
CD C:GLU169 2.5 14.2 1.0
CE1 C:HIS221 3.0 22.3 1.0
CD2 C:HIS105 3.0 14.3 1.0
CE1 C:HIS260 3.0 15.3 1.0
CE1 C:HIS105 3.1 24.0 1.0
CD2 C:HIS221 3.2 24.7 1.0
CG C:HIS260 3.4 14.8 1.0
CB C:HIS260 3.8 13.4 1.0
O C:HOH1338 4.0 27.9 1.0
CG C:GLU169 4.0 15.3 1.0
O C:HOH1693 4.1 18.1 1.0
ND1 C:HIS221 4.1 23.4 1.0
CG C:HIS105 4.2 17.1 1.0
O C:HOH373 4.2 13.2 1.0
ND1 C:HIS105 4.2 19.5 1.0
NE2 C:HIS260 4.2 11.5 1.0
CG C:HIS221 4.3 25.1 1.0
OD2 C:ASP139 4.3 14.9 1.0
CD2 C:HIS260 4.4 11.0 1.0
O C:HOH1539 4.5 18.6 1.0
CG C:ASP139 4.7 14.1 1.0
CB C:GLU169 4.8 12.9 1.0
CE C:MET137 4.9 17.9 1.0

Zinc binding site 4 out of 8 in 3qm3

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Zinc binding site 4 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn355

b:23.9
occ:1.00
 NE2 D:HIS221 2.1 17.3 1.0
NE2 D:HIS105 2.1 23.2 1.0
ND1 D:HIS260 2.2 19.6 1.0
OE1 D:GLU169 2.2 20.2 1.0
OE2 D:GLU169 2.3 16.4 1.0
O D:HOH375 2.3 12.0 1.0
CD D:GLU169 2.6 20.8 1.0
CE1 D:HIS260 3.0 18.4 1.0
CD2 D:HIS221 3.1 23.9 1.0
CE1 D:HIS221 3.1 21.1 1.0
CD2 D:HIS105 3.1 22.9 1.0
CE1 D:HIS105 3.1 24.8 1.0
CG D:HIS260 3.3 16.6 1.0
CB D:HIS260 3.8 19.0 1.0
O D:HOH1989 4.0 23.7 1.0
CG D:GLU169 4.1 19.1 1.0
O D:HOH3140 4.1 26.5 1.0
ND1 D:HIS221 4.2 26.6 1.0
O D:HOH969 4.2 10.6 1.0
NE2 D:HIS260 4.2 16.2 1.0
CG D:HIS221 4.2 26.9 1.0
ND1 D:HIS105 4.2 26.1 1.0
CG D:HIS105 4.2 21.7 1.0
OD2 D:ASP139 4.3 21.3 1.0
CD2 D:HIS260 4.4 15.2 1.0
O D:HOH2327 4.4 30.2 1.0
CG D:ASP139 4.7 20.2 1.0
CB D:GLU169 4.8 18.2 1.0
CE D:MET137 4.9 26.0 1.0

Zinc binding site 5 out of 8 in 3qm3

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Zinc binding site 5 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn355

b:16.6
occ:1.00
 NE2 E:HIS105 2.1 13.2 1.0
OE1 E:GLU169 2.1 10.7 1.0
NE2 E:HIS221 2.1 19.1 1.0
O E:HOH367 2.2 8.3 1.0
OE2 E:GLU169 2.2 16.7 1.0
ND1 E:HIS260 2.2 14.6 1.0
CD E:GLU169 2.4 14.7 1.0
CD2 E:HIS105 3.0 15.4 1.0
CE1 E:HIS260 3.0 16.3 1.0
CE1 E:HIS221 3.1 16.8 1.0
CE1 E:HIS105 3.1 20.1 1.0
CD2 E:HIS221 3.1 22.2 1.0
CG E:HIS260 3.4 14.8 1.0
CB E:HIS260 3.8 14.1 1.0
CG E:GLU169 3.9 15.5 1.0
O E:HOH1250 4.1 25.1 1.0
O E:HOH941 4.1 20.6 1.0
O E:HOH372 4.1 12.1 1.0
ND1 E:HIS105 4.2 20.1 1.0
CG E:HIS105 4.2 17.0 1.0
ND1 E:HIS221 4.2 15.0 1.0
NE2 E:HIS260 4.2 13.2 1.0
OD2 E:ASP139 4.3 14.4 1.0
CG E:HIS221 4.3 23.1 1.0
CD2 E:HIS260 4.4 13.3 1.0
O E:HOH1410 4.4 23.1 1.0
CG E:ASP139 4.7 15.1 1.0
CB E:GLU169 4.8 13.2 1.0
CE E:MET137 4.9 13.7 1.0

Zinc binding site 6 out of 8 in 3qm3

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Zinc binding site 6 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn355

b:28.6
occ:1.00
 NE2 F:HIS105 2.1 24.1 1.0
NE2 F:HIS221 2.1 22.3 1.0
OE1 F:GLU169 2.2 26.6 1.0
O F:HOH2367 2.2 10.6 1.0
ND1 F:HIS260 2.3 20.4 1.0
OE2 F:GLU169 2.4 24.8 1.0
CD F:GLU169 2.6 23.3 1.0
CE1 F:HIS260 3.0 21.5 1.0
CD2 F:HIS105 3.0 26.3 1.0
CE1 F:HIS105 3.1 25.6 1.0
CD2 F:HIS221 3.1 28.8 1.0
CE1 F:HIS221 3.2 30.6 1.0
CG F:HIS260 3.4 21.9 1.0
CB F:HIS260 3.9 22.1 1.0
CG F:GLU169 4.1 25.6 1.0
O F:HOH2723 4.1 30.1 1.0
O F:HOH887 4.1 11.0 1.0
ND1 F:HIS105 4.2 29.4 1.0
CG F:HIS105 4.2 24.4 1.0
OD2 F:ASP139 4.2 27.0 1.0
NE2 F:HIS260 4.2 16.1 1.0
ND1 F:HIS221 4.2 30.5 1.0
CG F:HIS221 4.3 32.9 1.0
CD2 F:HIS260 4.4 19.8 1.0
CG F:ASP139 4.7 27.1 1.0
CB F:GLU169 4.8 24.7 1.0
CE F:MET137 4.9 32.0 1.0

Zinc binding site 7 out of 8 in 3qm3

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Zinc binding site 7 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn355

b:17.8
occ:1.00
 NE2 G:HIS221 2.0 15.9 1.0
NE2 G:HIS105 2.1 10.2 1.0
OE1 G:GLU169 2.2 14.8 1.0
ND1 G:HIS260 2.2 15.4 1.0
O G:HOH379 2.2 8.9 1.0
OE2 G:GLU169 2.3 13.7 1.0
CD G:GLU169 2.6 16.7 1.0
CE1 G:HIS221 2.9 15.6 1.0
CE1 G:HIS260 3.0 13.1 1.0
CD2 G:HIS105 3.0 13.0 1.0
CD2 G:HIS221 3.1 19.9 1.0
CE1 G:HIS105 3.1 16.2 1.0
CG G:HIS260 3.4 12.7 1.0
CB G:HIS260 3.9 13.7 1.0
CG G:GLU169 4.1 14.7 1.0
ND1 G:HIS221 4.1 18.7 1.0
O G:HOH377 4.2 13.1 1.0
O G:HOH1158 4.2 22.2 1.0
NE2 G:HIS260 4.2 10.6 1.0
CG G:HIS221 4.2 19.4 1.0
O G:HOH763 4.2 21.4 1.0
CG G:HIS105 4.2 13.1 1.0
ND1 G:HIS105 4.2 13.2 1.0
OD2 G:ASP139 4.3 13.1 1.0
CD2 G:HIS260 4.4 8.0 1.0
O G:HOH1404 4.6 24.6 1.0
CG G:ASP139 4.8 14.9 1.0
CB G:GLU169 4.8 12.7 1.0

Zinc binding site 8 out of 8 in 3qm3

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Zinc binding site 8 out of 8 in the 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn355

b:27.7
occ:1.00
 NE2 H:HIS221 2.0 26.8 1.0
OE1 H:GLU169 2.1 23.5 1.0
NE2 H:HIS105 2.1 21.9 1.0
ND1 H:HIS260 2.2 19.3 1.0
O H:HOH504 2.3 9.4 1.0
OE2 H:GLU169 2.4 21.7 1.0
CD H:GLU169 2.5 21.5 1.0
CE1 H:HIS221 3.0 25.8 1.0
CE1 H:HIS260 3.0 22.9 1.0
CD2 H:HIS105 3.1 24.1 1.0
CD2 H:HIS221 3.1 30.3 1.0
CE1 H:HIS105 3.1 29.0 1.0
CG H:HIS260 3.3 20.6 1.0
CB H:HIS260 3.8 21.9 1.0
O H:HOH1731 4.0 16.3 1.0
CG H:GLU169 4.1 22.9 1.0
ND1 H:HIS221 4.1 27.7 1.0
O H:HOH3109 4.1 20.6 1.0
O H:HOH1041 4.2 17.9 1.0
CG H:HIS221 4.2 33.8 1.0
NE2 H:HIS260 4.2 18.3 1.0
ND1 H:HIS105 4.2 26.0 1.0
CG H:HIS105 4.2 21.1 1.0
OD2 H:ASP139 4.3 25.5 1.0
CD2 H:HIS260 4.4 17.8 1.0
CG H:ASP139 4.7 24.0 1.0
O H:HOH1580 4.8 22.5 1.0
CB H:GLU169 4.8 23.5 1.0
CE H:MET137 5.0 23.8 1.0

Reference:

G.Minasov, Z.Wawrzak, T.Skarina, O.Onopriyenko, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.85 Angstrom Resolution Crystal Structure of Fructose-Bisphosphate Aldolase (Fba) From Campylobacter Jejuni To Be Published.
Page generated: Sat Oct 26 12:12:11 2024

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