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Chlorine in PDB 3roj: D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803

Enzymatic activity of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803

All present enzymatic activity of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803:
3.1.3.11; 3.1.3.37;

Protein crystallography data

The structure of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803, PDB code: 3roj was solved by X.Hu, D.Hui, F.Lingling, W.Jian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.54 / 2.30
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 144.282, 144.282, 168.795, 90.00, 90.00, 120.00
R / Rfree (%) 18.3 / 20.4

Other elements in 3roj:

The structure of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Chlorine atom in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 (pdb code 3roj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803, PDB code: 3roj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in 3roj

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Chlorine binding site 1 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl355

b:45.5
occ:1.00
 NE A:ARG234 2.6 37.4 1.0
O A:GLY287 2.7 27.8 1.0
O A:ALA285 2.7 23.9 1.0
CD A:ARG234 3.2 35.4 1.0
C A:CSO286 3.6 26.8 1.0
CZ A:ARG234 3.6 42.5 1.0
CG2 A:VAL290 3.6 22.4 1.0
NH2 A:ARG234 3.7 45.9 1.0
C A:ALA285 3.7 25.1 1.0
N A:GLY287 3.8 24.4 1.0
O A:CSO286 3.8 29.3 1.0
CA A:CSO286 3.8 26.6 1.0
C A:GLY287 3.8 27.4 1.0
CG A:ARG234 4.0 31.3 1.0
N A:CSO286 4.2 25.1 1.0
CA A:GLY287 4.4 27.2 1.0
O A:GLU282 4.6 28.6 1.0
O A:HOH533 4.7 39.3 1.0
NH1 A:ARG234 4.8 28.5 1.0
CB A:VAL290 4.8 21.7 1.0
N A:GLU288 4.9 28.6 1.0

Chlorine binding site 2 out of 23 in 3roj

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Chlorine binding site 2 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl356

b:61.1
occ:1.00
 O A:HOH768 3.0 33.5 1.0
O A:GLU71 3.6 23.2 1.0
O A:HOH491 3.9 23.3 1.0
O A:HOH645 4.1 41.3 1.0
N A:GLU71 4.3 24.3 1.0
CB A:GLU71 4.4 29.1 1.0
C A:GLU71 4.5 26.6 1.0
CG A:GLU70 4.5 20.8 1.0
CA A:GLU71 4.6 26.8 1.0
CL A:CL364 4.8 58.0 1.0
O A:HOH497 4.8 35.4 1.0
OH A:TYR67 4.8 24.2 1.0
OE1 A:GLU70 4.9 22.9 1.0

Chlorine binding site 3 out of 23 in 3roj

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Chlorine binding site 3 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl357

b:53.4
occ:1.00
 O B:HOH539 2.6 34.4 1.0
ND2 B:ASN110 2.9 29.0 1.0
ND2 A:ASN110 3.3 32.6 1.0
CG2 A:THR301 3.8 29.4 1.0
CB A:ASN110 3.8 25.3 1.0
CA A:GLY300 3.9 23.2 1.0
C A:GLY300 3.9 25.6 1.0
N A:THR301 4.0 25.1 1.0
CG B:ASN110 4.0 28.5 1.0
CG A:ASN110 4.0 31.7 1.0
OD1 B:ASN110 4.3 30.2 1.0
O A:HOH404 4.4 25.6 1.0
O A:PRO299 4.4 22.8 1.0
O A:GLY300 4.5 20.6 1.0
CA A:THR301 4.6 27.0 1.0
N A:GLY300 4.6 21.1 1.0
C A:PRO299 4.8 22.0 1.0
CB A:THR301 4.8 28.8 1.0

Chlorine binding site 4 out of 23 in 3roj

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Chlorine binding site 4 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl358

b:55.0
occ:1.00
 O A:HOH577 2.5 34.2 1.0
N A:ALA222 3.1 28.9 1.0
OD2 A:ASP200 3.4 26.6 1.0
CB A:ALA222 3.5 24.6 1.0
CG A:ASP200 3.7 25.7 1.0
OD1 A:ASP200 3.8 27.4 1.0
CA A:ALA222 3.9 27.1 1.0
CG A:GLU225 4.0 32.5 1.0
CA A:GLY221 4.1 25.0 1.0
C A:GLY221 4.1 30.7 1.0
CB A:GLU225 4.1 22.8 1.0
NZ A:LYS134 4.3 23.4 1.0
CD A:GLU225 4.3 33.5 1.0
OE2 A:GLU225 4.3 35.0 1.0
SD A:MET174 4.5 45.6 1.0
O A:ALA222 4.5 23.2 1.0
C A:ALA222 4.7 25.8 1.0
CB A:ASP200 4.8 24.7 1.0
N A:ASP200 4.9 29.8 1.0

Chlorine binding site 5 out of 23 in 3roj

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Chlorine binding site 5 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl359

b:55.8
occ:1.00
 O A:HOH590 2.7 45.9 1.0
O A:HOH448 3.3 27.9 1.0
CG A:GLU181 3.4 44.9 1.0
N A:GLU181 3.6 32.0 1.0
CD A:GLU181 3.7 60.1 1.0
O A:ARG178 3.8 29.8 1.0
CB A:GLU181 3.9 38.0 1.0
OE2 A:GLU181 4.0 56.0 1.0
N A:LYS180 4.1 28.9 1.0
CB A:LYS180 4.2 34.1 1.0
O A:PRO177 4.3 33.3 1.0
OE1 A:GLU181 4.3 65.9 1.0
C A:ARG178 4.3 31.5 1.0
CA A:GLU181 4.4 33.8 1.0
CA A:LYS180 4.5 30.6 1.0
C A:LYS180 4.6 32.7 1.0
C A:HIS179 4.9 30.7 1.0
CA A:ARG178 4.9 32.8 1.0
N A:HIS179 4.9 29.8 1.0

Chlorine binding site 6 out of 23 in 3roj

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Chlorine binding site 6 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl360

b:66.0
occ:1.00
 OE1 A:GLN109 3.8 35.3 1.0
ND2 A:ASN103 4.3 47.6 1.0
NE2 A:GLN109 4.4 34.9 1.0
O B:HOH383 4.4 37.6 1.0
CZ A:TYR107 4.5 49.6 1.0
CE2 A:TYR107 4.5 43.0 1.0
CD A:GLN109 4.5 35.2 1.0
CE1 A:TYR107 4.5 37.4 1.0
CD2 A:TYR107 4.5 37.5 1.0
CD1 A:TYR107 4.6 32.3 1.0
CG A:TYR107 4.6 30.5 1.0
O A:HOH511 4.6 39.1 1.0
OG A:SER197 4.9 27.4 1.0
O A:HOH371 5.0 36.3 1.0

Chlorine binding site 7 out of 23 in 3roj

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Chlorine binding site 7 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl361

b:55.4
occ:1.00
 N A:GLY101 2.7 22.9 1.0
CA A:GLY101 3.0 24.9 1.0
N A:THR102 3.1 23.2 1.0
MG A:MG346 3.2 52.8 1.0
OD1 A:ASP198 3.4 54.1 1.0
OD2 A:ASP198 3.6 57.9 1.0
C A:GLY101 3.6 25.7 1.0
CG A:ASP198 3.8 56.2 1.0
O A:HOH495 3.8 27.4 1.0
C A:GLU100 3.9 23.5 1.0
O A:CYS99 3.9 23.9 1.0
OG1 A:THR102 4.0 26.2 1.0
CG2 A:THR102 4.2 22.2 1.0
O A:HOH812 4.2 42.5 1.0
CA A:THR102 4.3 24.6 1.0
CA A:GLU100 4.4 24.2 1.0
CB A:THR102 4.4 24.9 1.0
OE1 A:GLU100 4.4 33.1 1.0
O A:GLY101 4.8 22.6 1.0
C A:CYS99 4.9 22.1 1.0
O A:GLU100 5.0 22.7 1.0

Chlorine binding site 8 out of 23 in 3roj

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Chlorine binding site 8 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl362

b:66.7
occ:1.00
 O A:HOH596 2.6 44.0 1.0
O A:HOH431 2.9 41.1 1.0
NH1 A:ARG52 3.6 32.9 1.0
NH2 A:ARG52 4.0 26.6 1.0
CZ A:ARG52 4.3 33.7 1.0
CE A:LYS121 4.6 44.2 1.0

Chlorine binding site 9 out of 23 in 3roj

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Chlorine binding site 9 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl363

b:50.2
occ:1.00
 O A:HOH678 2.6 39.1 1.0
O A:HOH427 2.7 36.0 1.0
H11 A:GOL365 2.8 49.0 1.0
NE2 A:GLN241 2.8 23.5 1.0
CB A:ASN280 3.5 32.5 1.0
H12 A:GOL365 3.7 49.0 1.0
CG A:GLN241 3.7 23.6 1.0
N A:ASN280 3.7 29.4 1.0
C1 A:GOL365 3.7 40.8 1.0
CD A:GLN241 3.7 25.6 1.0
CG1 A:VAL278 3.9 27.9 1.0
O A:HOH761 3.9 43.1 1.0
ND2 A:ASN280 4.0 34.5 1.0
CA A:ASN280 4.0 30.4 1.0
C A:TYR279 4.0 30.5 1.0
H2 A:GOL365 4.2 51.0 1.0
CG A:ASN280 4.2 34.8 1.0
O A:TYR279 4.3 28.5 1.0
O A:VAL278 4.4 33.4 1.0
C2 A:GOL365 4.6 42.5 1.0
CB A:GLN241 4.7 21.9 1.0
CA A:TYR279 4.7 32.4 1.0
HO1 A:GOL365 4.7 46.6 1.0
C A:VAL278 4.7 33.2 1.0
O1 A:GOL365 4.8 38.9 1.0
OE1 A:GLN241 4.9 23.0 1.0
OE2 A:GLU283 4.9 40.2 1.0
H31 A:GOL365 5.0 40.8 1.0
N A:TYR279 5.0 32.7 1.0
CB A:VAL278 5.0 28.7 1.0
OD2 A:ASP146 5.0 25.4 1.0

Chlorine binding site 10 out of 23 in 3roj

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Chlorine binding site 10 out of 23 in the D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of D-Fructose 1,6-Bisphosphatase Class 2/Sedoheptulose 1,7-Bisphosphatase of Synechocystis Sp. Pcc 6803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl364

b:58.0
occ:1.00
 OD1 A:ASN45 3.9 25.1 1.0
O A:GLY73 4.0 38.2 1.0
O A:HOH645 4.1 41.3 1.0
OG1 A:THR76 4.2 39.4 1.0
CG A:ASN45 4.3 24.7 1.0
O A:HOH491 4.4 23.3 1.0
O A:GLU71 4.6 23.2 1.0
ND2 A:ASN45 4.6 21.8 1.0
NE A:ARG77 4.7 60.5 1.0
CL A:CL356 4.8 61.1 1.0
C A:GLY73 4.8 33.2 1.0
N A:GLY73 4.9 27.0 1.0
CG A:ARG77 4.9 58.4 1.0
CB A:ASN45 4.9 26.3 1.0

Reference:

X.Hu, F.Lingling. New Insights Into the Structural and Interactional Basis For A Promising Route Towards Fructose-1,6-/Sedoheptulose-1,7-Bisphosphatases Controlling To Be Published.
Page generated: Sun Jul 21 03:50:48 2024

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