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Chlorine in PDB 4rz4: Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli

Protein crystallography data

The structure of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli, PDB code: 4rz4 was solved by T.Sandalova, L.Stellmacher, S.Leptihn, G.Schneider, G.A.Sprenger, A.K.Samland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 88.44 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 88.440, 133.000, 102.270, 90.00, 92.37, 90.00
R / Rfree (%) 17.9 / 19.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli (pdb code 4rz4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli, PDB code: 4rz4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4rz4

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Chlorine binding site 1 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:29.2
occ:1.00
OE2 A:GLU182 2.7 16.6 1.0
N A:VAL162 2.9 11.3 1.0
ND1 A:HIS150 2.9 11.0 1.0
N A:GLU182 3.0 12.5 1.0
CE1 A:HIS150 3.3 11.2 1.0
CG A:GLU182 3.4 15.2 1.0
CD A:GLU182 3.5 16.5 1.0
CB A:GLU182 3.5 14.2 1.0
CB A:VAL162 3.6 11.1 1.0
CA A:CYS181 3.7 13.9 0.4
CA A:LYS161 3.7 14.2 1.0
CA A:CYS181 3.7 12.6 0.6
CG2 A:VAL162 3.8 11.4 1.0
CA A:VAL162 3.8 11.1 1.0
C A:LYS161 3.8 12.6 1.0
C A:CYS181 3.8 13.0 1.0
CA A:GLU182 3.9 13.3 1.0
O A:VAL162 3.9 11.5 1.0
O A:GLY180 4.0 13.5 1.0
CB A:LYS161 4.2 15.9 1.0
CG A:HIS150 4.2 10.7 1.0
C A:VAL162 4.4 11.0 1.0
NZ A:LYS154 4.6 16.6 1.0
CE A:LYS154 4.6 15.8 1.0
CB A:CYS181 4.6 15.1 0.4
C A:GLY180 4.6 13.3 1.0
N A:CYS181 4.6 12.9 1.0
NE2 A:HIS150 4.6 10.8 1.0
OE1 A:GLU182 4.7 19.4 1.0
CG A:LYS161 4.7 18.2 1.0
CB A:CYS181 4.8 12.2 0.6
CB A:HIS150 4.8 10.6 1.0
C A:GLU182 4.9 13.4 1.0
O A:ALA160 4.9 14.2 1.0
O A:LYS161 5.0 11.5 1.0
N A:SER183 5.0 13.0 1.0

Chlorine binding site 2 out of 10 in 4rz4

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Chlorine binding site 2 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:30.5
occ:1.00
OE2 B:GLU182 2.7 17.0 1.0
N B:VAL162 2.9 11.6 1.0
ND1 B:HIS150 2.9 12.3 1.0
N B:GLU182 3.0 13.1 1.0
CE1 B:HIS150 3.3 12.0 1.0
CG B:GLU182 3.5 15.1 1.0
CD B:GLU182 3.5 16.6 1.0
CB B:GLU182 3.5 14.3 1.0
CB B:VAL162 3.6 11.2 1.0
CA B:LYS161 3.7 13.5 1.0
CA B:VAL162 3.7 11.8 1.0
CG2 B:VAL162 3.7 11.6 1.0
C B:LYS161 3.8 12.4 1.0
CA B:CYS181 3.8 13.7 1.0
C B:CYS181 3.9 13.5 1.0
CA B:GLU182 3.9 13.5 1.0
O B:VAL162 3.9 12.0 1.0
O B:GLY180 4.0 11.9 1.0
CB B:LYS161 4.2 14.8 1.0
CG B:HIS150 4.2 12.3 1.0
C B:VAL162 4.3 12.0 1.0
CE B:LYS154 4.6 16.8 1.0
NZ B:LYS154 4.6 16.9 1.0
NE2 B:HIS150 4.6 12.3 1.0
N B:CYS181 4.7 13.6 1.0
C B:GLY180 4.7 12.7 1.0
CG B:LYS161 4.7 16.8 1.0
OE1 B:GLU182 4.7 19.2 1.0
CB B:CYS181 4.8 15.6 1.0
CB B:HIS150 4.8 11.9 1.0
O B:ALA160 4.9 12.9 1.0
C B:GLU182 4.9 13.8 1.0
O B:LYS161 4.9 12.2 1.0
N B:SER183 5.0 12.8 1.0
N B:LYS161 5.0 13.2 1.0

Chlorine binding site 3 out of 10 in 4rz4

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Chlorine binding site 3 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:28.7
occ:1.00
OE2 C:GLU182 2.7 19.9 1.0
ND1 C:HIS150 2.9 12.3 1.0
N C:VAL162 2.9 13.8 1.0
N C:GLU182 3.0 15.1 1.0
CE1 C:HIS150 3.3 13.1 1.0
CG C:GLU182 3.5 18.8 1.0
CD C:GLU182 3.5 20.0 1.0
CB C:GLU182 3.5 17.5 1.0
CB C:VAL162 3.6 13.7 1.0
CA C:CYS181 3.7 15.2 0.4
CG2 C:VAL162 3.7 13.5 1.0
CA C:VAL162 3.8 13.8 1.0
CA C:CYS181 3.8 14.1 0.6
CA C:LYS161 3.8 16.8 1.0
C C:LYS161 3.8 15.4 1.0
C C:CYS181 3.8 14.4 1.0
CA C:GLU182 3.9 15.6 1.0
O C:VAL162 4.0 13.9 1.0
O C:GLY180 4.0 14.1 1.0
CG C:HIS150 4.2 12.3 1.0
CB C:LYS161 4.2 18.3 1.0
C C:VAL162 4.3 13.6 1.0
CE C:LYS154 4.5 17.2 1.0
CB C:CYS181 4.6 15.8 0.4
NZ C:LYS154 4.6 18.0 1.0
NE2 C:HIS150 4.6 12.9 1.0
N C:CYS181 4.6 14.1 1.0
C C:GLY180 4.6 14.0 1.0
OE1 C:GLU182 4.7 23.1 1.0
CG C:LYS161 4.7 21.2 1.0
CB C:CYS181 4.8 13.4 0.6
CB C:HIS150 4.8 12.0 1.0
C C:GLU182 4.9 15.4 1.0
O C:ALA160 4.9 16.3 1.0
N C:SER183 5.0 14.8 1.0
O C:LYS161 5.0 15.2 1.0

Chlorine binding site 4 out of 10 in 4rz4

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Chlorine binding site 4 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:30.9
occ:1.00
OE2 D:GLU182 2.7 17.4 1.0
ND1 D:HIS150 2.9 11.2 1.0
N D:VAL162 2.9 11.9 1.0
N D:GLU182 3.1 14.5 1.0
CE1 D:HIS150 3.3 11.2 1.0
CG D:GLU182 3.5 16.9 1.0
CD D:GLU182 3.5 18.0 1.0
CB D:GLU182 3.6 15.7 1.0
CB D:VAL162 3.6 11.5 1.0
CG2 D:VAL162 3.7 11.4 1.0
CA D:LYS161 3.7 14.3 1.0
CA D:VAL162 3.8 11.9 1.0
CA D:CYS181 3.8 15.5 0.4
C D:LYS161 3.8 12.8 1.0
CA D:CYS181 3.8 14.1 0.6
C D:CYS181 3.9 14.8 1.0
CA D:GLU182 3.9 14.9 1.0
O D:VAL162 4.0 13.4 1.0
O D:GLY180 4.0 14.4 1.0
CG D:HIS150 4.2 10.9 1.0
CB D:LYS161 4.2 15.0 1.0
C D:VAL162 4.4 12.5 1.0
CE D:LYS154 4.5 17.2 1.0
NZ D:LYS154 4.5 18.7 1.0
NE2 D:HIS150 4.6 11.2 1.0
CB D:CYS181 4.6 16.8 0.4
C D:GLY180 4.7 13.3 1.0
OE1 D:GLU182 4.7 20.5 1.0
N D:CYS181 4.7 14.0 1.0
CG D:LYS161 4.7 17.0 1.0
CB D:HIS150 4.8 11.0 1.0
CB D:CYS181 4.8 13.8 0.6
O D:ALA160 4.9 16.6 1.0
O D:LYS161 5.0 12.6 1.0
C D:GLU182 5.0 14.2 1.0

Chlorine binding site 5 out of 10 in 4rz4

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Chlorine binding site 5 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl304

b:28.8
occ:1.00
OE2 E:GLU182 2.7 17.0 1.0
N E:VAL162 2.9 11.5 1.0
ND1 E:HIS150 2.9 12.1 1.0
N E:GLU182 3.0 12.9 1.0
CE1 E:HIS150 3.3 12.7 1.0
CG E:GLU182 3.4 16.3 1.0
CD E:GLU182 3.5 18.0 1.0
CB E:GLU182 3.5 14.9 1.0
CB E:VAL162 3.6 10.8 1.0
CA E:CYS181 3.7 14.0 0.4
CA E:LYS161 3.8 13.7 1.0
CA E:VAL162 3.8 11.0 1.0
CG2 E:VAL162 3.8 11.1 1.0
CA E:CYS181 3.8 12.2 0.6
C E:LYS161 3.8 12.8 1.0
C E:CYS181 3.9 12.9 1.0
CA E:GLU182 3.9 14.0 1.0
O E:VAL162 3.9 11.2 1.0
O E:GLY180 4.0 12.4 1.0
CB E:LYS161 4.2 15.4 1.0
CG E:HIS150 4.2 11.8 1.0
C E:VAL162 4.3 10.9 1.0
CE E:LYS154 4.5 14.5 1.0
NZ E:LYS154 4.6 14.4 1.0
CB E:CYS181 4.6 15.2 0.4
NE2 E:HIS150 4.6 12.2 1.0
N E:CYS181 4.7 13.3 1.0
C E:GLY180 4.7 12.9 1.0
OE1 E:GLU182 4.7 19.4 1.0
CG E:LYS161 4.7 17.9 1.0
CB E:CYS181 4.8 11.4 0.6
CB E:HIS150 4.8 11.1 1.0
O E:ALA160 4.9 15.8 1.0
C E:GLU182 4.9 13.7 1.0
O E:LYS161 5.0 11.9 1.0

Chlorine binding site 6 out of 10 in 4rz4

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Chlorine binding site 6 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl304

b:24.7
occ:1.00
OE2 F:GLU182 2.7 15.8 1.0
ND1 F:HIS150 2.9 8.9 1.0
N F:VAL162 2.9 9.6 1.0
N F:GLU182 3.0 11.5 1.0
CE1 F:HIS150 3.3 9.2 1.0
CG F:GLU182 3.5 14.1 1.0
CD F:GLU182 3.5 15.8 1.0
CB F:GLU182 3.5 13.3 1.0
CB F:VAL162 3.6 9.3 1.0
CA F:LYS161 3.7 11.7 1.0
CA F:CYS181 3.7 13.2 0.4
CG2 F:VAL162 3.8 9.4 1.0
CA F:CYS181 3.8 11.8 0.6
CA F:VAL162 3.8 9.2 1.0
C F:LYS161 3.8 10.4 1.0
C F:CYS181 3.9 12.4 1.0
CA F:GLU182 3.9 12.1 1.0
O F:VAL162 4.0 9.6 1.0
O F:GLY180 4.0 12.3 1.0
CG F:HIS150 4.2 8.8 1.0
CB F:LYS161 4.2 12.9 1.0
C F:VAL162 4.4 9.1 1.0
CE F:LYS154 4.5 12.7 1.0
NZ F:LYS154 4.6 13.1 1.0
NE2 F:HIS150 4.6 9.1 1.0
CB F:CYS181 4.6 14.3 0.4
N F:CYS181 4.6 12.3 1.0
C F:GLY180 4.6 11.9 1.0
OE1 F:GLU182 4.7 17.4 1.0
CG F:LYS161 4.7 15.1 1.0
CB F:CYS181 4.8 11.2 0.6
CB F:HIS150 4.8 8.8 1.0
O F:ALA160 4.9 11.5 1.0
C F:GLU182 4.9 12.0 1.0
O F:LYS161 5.0 9.1 1.0

Chlorine binding site 7 out of 10 in 4rz4

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Chlorine binding site 7 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl304

b:28.4
occ:1.00
OE2 G:GLU182 2.7 15.3 1.0
ND1 G:HIS150 2.9 11.0 1.0
N G:VAL162 2.9 10.0 1.0
N G:GLU182 3.1 11.6 1.0
CE1 G:HIS150 3.3 11.0 1.0
CG G:GLU182 3.5 13.6 1.0
CD G:GLU182 3.5 15.2 1.0
CB G:GLU182 3.6 12.7 1.0
CB G:VAL162 3.6 9.7 1.0
CA G:CYS181 3.8 13.0 0.4
CG2 G:VAL162 3.8 9.5 1.0
CA G:CYS181 3.8 11.5 0.6
CA G:LYS161 3.8 12.4 1.0
CA G:VAL162 3.8 9.8 1.0
C G:LYS161 3.8 11.2 1.0
C G:CYS181 3.9 12.2 1.0
CA G:GLU182 3.9 11.6 1.0
O G:GLY180 4.0 10.8 1.0
O G:VAL162 4.0 10.0 1.0
CG G:HIS150 4.2 10.6 1.0
CB G:LYS161 4.2 14.1 1.0
C G:VAL162 4.4 9.9 1.0
CE G:LYS154 4.5 14.1 1.0
NZ G:LYS154 4.5 15.1 1.0
NE2 G:HIS150 4.6 11.0 1.0
C G:GLY180 4.6 11.4 1.0
N G:CYS181 4.6 11.8 1.0
CB G:CYS181 4.7 14.4 0.4
OE1 G:GLU182 4.7 17.4 1.0
CG G:LYS161 4.7 16.0 1.0
CB G:CYS181 4.8 11.4 0.6
CB G:HIS150 4.8 10.0 1.0
O G:ALA160 4.9 12.7 1.0
C G:GLU182 5.0 11.6 1.0

Chlorine binding site 8 out of 10 in 4rz4

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Chlorine binding site 8 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl304

b:27.4
occ:1.00
OE2 H:GLU182 2.7 16.0 1.0
N H:VAL162 2.9 11.0 1.0
ND1 H:HIS150 3.0 11.4 1.0
N H:GLU182 3.0 12.6 1.0
CE1 H:HIS150 3.3 11.9 1.0
CG H:GLU182 3.4 15.4 1.0
CD H:GLU182 3.5 16.5 1.0
CB H:GLU182 3.5 14.3 1.0
CB H:VAL162 3.6 11.1 1.0
CA H:LYS161 3.7 12.9 1.0
CA H:VAL162 3.8 10.9 1.0
CA H:CYS181 3.8 13.9 0.4
C H:LYS161 3.8 11.7 1.0
CG2 H:VAL162 3.8 11.6 1.0
CA H:CYS181 3.8 12.9 0.6
CA H:GLU182 3.8 13.6 1.0
C H:CYS181 3.9 13.1 1.0
O H:VAL162 3.9 12.3 1.0
O H:GLY180 4.0 12.2 1.0
CB H:LYS161 4.1 14.7 1.0
CG H:HIS150 4.3 11.1 1.0
C H:VAL162 4.4 11.9 1.0
CE H:LYS154 4.6 16.0 1.0
NZ H:LYS154 4.6 16.6 1.0
NE2 H:HIS150 4.7 12.1 1.0
CB H:CYS181 4.7 14.9 0.4
C H:GLY180 4.7 12.6 1.0
OE1 H:GLU182 4.7 18.1 1.0
N H:CYS181 4.7 12.8 1.0
CG H:LYS161 4.7 18.4 1.0
CB H:CYS181 4.8 12.7 0.6
CB H:HIS150 4.9 10.4 1.0
O H:ALA160 4.9 14.2 1.0
C H:GLU182 4.9 13.3 1.0
O H:LYS161 5.0 11.0 1.0
N H:SER183 5.0 12.8 1.0
N H:LYS161 5.0 12.9 1.0

Chlorine binding site 9 out of 10 in 4rz4

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Chlorine binding site 9 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl304

b:28.9
occ:1.00
OE2 I:GLU182 2.7 16.3 1.0
N I:VAL162 2.9 12.2 1.0
ND1 I:HIS150 2.9 12.3 1.0
N I:GLU182 3.1 13.4 1.0
CE1 I:HIS150 3.3 12.5 1.0
CG I:GLU182 3.5 15.8 1.0
CD I:GLU182 3.5 17.4 1.0
CB I:GLU182 3.5 14.9 1.0
CB I:VAL162 3.6 13.0 1.0
CA I:LYS161 3.7 14.8 1.0
CG2 I:VAL162 3.7 13.4 1.0
CA I:VAL162 3.8 12.3 1.0
C I:LYS161 3.8 13.7 1.0
CA I:CYS181 3.8 14.6 0.4
CA I:CYS181 3.8 13.3 0.6
C I:CYS181 3.9 13.9 1.0
CA I:GLU182 3.9 13.8 1.0
O I:VAL162 4.0 12.7 1.0
O I:GLY180 4.1 13.4 1.0
CB I:LYS161 4.2 16.0 1.0
CG I:HIS150 4.2 11.9 1.0
C I:VAL162 4.4 12.6 1.0
CE I:LYS154 4.5 15.4 1.0
NZ I:LYS154 4.5 14.8 1.0
NE2 I:HIS150 4.6 12.2 1.0
C I:GLY180 4.7 13.4 1.0
N I:CYS181 4.7 13.8 1.0
OE1 I:GLU182 4.7 20.4 1.0
CG I:LYS161 4.7 18.8 1.0
CB I:CYS181 4.7 15.7 0.4
CB I:CYS181 4.8 13.1 0.6
CB I:HIS150 4.8 12.0 1.0
O I:ALA160 4.9 14.5 1.0
C I:GLU182 5.0 13.5 1.0
O I:LYS161 5.0 13.2 1.0

Chlorine binding site 10 out of 10 in 4rz4

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Chlorine binding site 10 out of 10 in the Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Fructose-6-Phosphate Aldolase Q59E Y131F From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl304

b:27.0
occ:1.00
OE2 J:GLU182 2.7 17.3 1.0
ND1 J:HIS150 2.9 11.8 1.0
N J:VAL162 2.9 10.9 1.0
N J:GLU182 3.0 11.9 1.0
CE1 J:HIS150 3.3 12.4 1.0
CG J:GLU182 3.4 15.5 1.0
CB J:GLU182 3.4 13.4 1.0
CD J:GLU182 3.5 17.0 1.0
CB J:VAL162 3.6 10.3 1.0
CA J:CYS181 3.7 13.2 0.4
CA J:CYS181 3.7 12.0 0.6
CA J:VAL162 3.8 10.6 1.0
CA J:LYS161 3.8 13.2 1.0
CG2 J:VAL162 3.8 10.7 1.0
CA J:GLU182 3.8 12.4 1.0
C J:CYS181 3.8 12.5 1.0
C J:LYS161 3.8 12.5 1.0
O J:VAL162 3.9 10.8 1.0
O J:GLY180 4.0 12.0 1.0
CB J:LYS161 4.2 14.8 1.0
CG J:HIS150 4.2 11.4 1.0
C J:VAL162 4.4 10.3 1.0
CE J:LYS154 4.6 14.6 1.0
NZ J:LYS154 4.6 14.9 1.0
NE2 J:HIS150 4.6 11.4 1.0
CB J:CYS181 4.6 14.4 0.4
N J:CYS181 4.6 12.2 1.0
C J:GLY180 4.6 12.1 1.0
OE1 J:GLU182 4.7 19.6 1.0
CG J:LYS161 4.7 16.6 1.0
CB J:CYS181 4.8 11.9 0.6
C J:GLU182 4.9 12.0 1.0
CB J:HIS150 4.9 11.5 1.0
N J:SER183 4.9 11.6 1.0
O J:ALA160 5.0 12.9 1.0
O J:CYS181 5.0 11.9 1.0

Reference:

L.Stellmacher, T.Sandalova, S.Leptihn, G.Schneider, G.A.Sprenger, A.K.Samland. Acid Base Catalyst Discriminates Between A Fructose 6-Phosphate Aldolase and A Transaldolase Chemcatchem 2015.
ISSN: ESSN 1867-3899
DOI: 10.1002/CCTC.201500478
Page generated: Sat Dec 12 11:12:32 2020

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Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
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