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Chlorine in PDB 4c1l: Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant

Enzymatic activity of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant

All present enzymatic activity of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant:
2.5.1.54;

Protein crystallography data

The structure of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant, PDB code: 4c1l was solved by A.R.Nazmi, L.R.Schofield, R.C.J.Dobson, G.B.Jameson, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.97 / 1.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 87.942, 110.923, 143.531, 90.00, 90.00, 90.00
R / Rfree (%) 16.419 / 18.331

Other elements in 4c1l:

The structure of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant also contains other interesting chemical elements:

Potassium (K) 2 atoms
Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant (pdb code 4c1l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant, PDB code: 4c1l:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4c1l

Go back to Chlorine Binding Sites List in 4c1l
Chlorine binding site 1 out of 4 in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1264

b:25.2
occ:0.50
 O A:HOH2127 1.9 18.0 0.5
O A:HOH2120 2.7 14.5 0.5
NZ A:LYS136 2.8 17.4 1.0
NE A:ARG166 3.0 15.0 1.0
NH2 A:ARG166 3.4 17.7 1.0
CG A:HIS201 3.6 24.4 1.0
CZ A:ARG166 3.6 16.2 1.0
CD A:LYS136 3.7 16.5 1.0
CE A:LYS136 3.8 17.4 1.0
ND1 A:HIS201 3.8 26.1 1.0
CD2 A:HIS201 3.9 26.9 1.0
CG A:ARG166 3.9 13.9 1.0
CD A:ARG166 4.0 14.3 1.0
CB A:HIS201 4.0 21.7 1.0
CB A:ALA114 4.1 13.5 1.0
CB A:ARG166 4.1 13.6 1.0
CE1 A:HIS201 4.2 27.7 1.0
O A:HOH2091 4.2 20.1 0.5
NE2 A:HIS201 4.2 27.9 1.0
OD2 A:ASP198 4.5 16.8 1.0
O A:HOH2049 4.6 24.6 1.0
N A:ALA114 4.7 13.0 1.0
NH1 A:ARG166 5.0 16.6 1.0
CG A:LYS136 5.0 15.8 1.0

Chlorine binding site 2 out of 4 in 4c1l

Go back to Chlorine Binding Sites List in 4c1l
Chlorine binding site 2 out of 4 in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1265

b:26.9
occ:0.50
 O B:HOH2125 1.7 19.1 0.5
O B:HOH2122 2.7 27.4 1.0
NZ B:LYS136 2.9 17.5 1.0
NE B:ARG166 2.9 14.4 1.0
NH2 B:ARG166 3.2 17.5 1.0
CG B:HIS201 3.4 22.0 1.0
CZ B:ARG166 3.5 15.8 1.0
ND1 B:HIS201 3.6 24.3 1.0
CB B:HIS201 3.7 19.2 1.0
CD2 B:HIS201 3.8 25.1 1.0
CE B:LYS136 3.8 17.1 1.0
CD B:LYS136 3.9 16.3 1.0
CG B:ARG166 4.0 13.2 1.0
CE1 B:HIS201 4.0 26.6 1.0
CD B:ARG166 4.0 13.7 1.0
CB B:ARG166 4.1 12.8 1.0
NE2 B:HIS201 4.1 26.8 1.0
OD2 B:ASP198 4.2 15.9 1.0
CB B:ALA114 4.2 13.1 1.0
O B:HOH2124 4.5 45.0 1.0
O B:HOH2097 4.6 34.8 1.0
CL B:CL1266 4.7 28.3 0.6
NH1 B:ARG166 4.8 16.1 1.0
N B:ALA114 5.0 12.3 1.0

Chlorine binding site 3 out of 4 in 4c1l

Go back to Chlorine Binding Sites List in 4c1l
Chlorine binding site 3 out of 4 in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1266

b:28.3
occ:0.60
 CL B:CL1267 2.0 29.1 0.4
NH2 B:ARG55 2.8 24.5 0.5
NE2 B:GLN111 2.9 19.8 1.0
NZ B:LYS136 2.9 17.5 1.0
NH1 B:ARG55 3.1 21.4 0.5
CE1 B:HIS201 3.6 26.6 1.0
CE B:LYS136 3.8 17.1 1.0
NH2 B:ARG55 3.8 22.6 0.5
CZ B:ARG55 3.8 24.5 0.5
CZ B:ARG55 3.9 21.7 0.5
CD B:GLN111 3.9 17.9 1.0
O B:HOH2097 4.0 34.8 1.0
OE1 B:GLN111 4.0 19.4 1.0
NH1 B:ARG55 4.1 25.9 0.5
CE B:MET225 4.2 16.6 1.0
O B:HOH2061 4.2 40.7 1.0
NE2 B:HIS201 4.3 26.8 1.0
OD2 B:ASP198 4.3 15.9 1.0
ND1 B:HIS201 4.4 24.3 1.0
CD B:LYS136 4.4 16.3 1.0
O B:HOH2122 4.5 27.4 1.0
OE1 B:GLU93 4.7 18.3 1.0
CL B:CL1265 4.7 26.9 0.5
NE B:ARG55 4.9 22.7 0.5

Chlorine binding site 4 out of 4 in 4c1l

Go back to Chlorine Binding Sites List in 4c1l
Chlorine binding site 4 out of 4 in the Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Pyrococcus Furiosus 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase I181D Interface Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1267

b:29.1
occ:0.40
 CL B:CL1266 2.0 28.3 0.6
O B:HOH2061 2.8 40.7 1.0
NH2 B:ARG55 3.1 22.6 0.5
NH2 B:ARG55 3.2 24.5 0.5
NZ B:LYS60 3.2 28.5 0.6
NH1 B:ARG55 3.5 21.4 0.5
CE1 B:HIS201 3.6 26.6 1.0
NH1 B:ARG55 3.6 25.9 0.5
MN B:MN1263 3.7 27.0 0.5
CZ B:ARG55 3.8 21.7 0.5
NE2 B:HIS201 3.8 26.8 1.0
CZ B:ARG55 3.9 24.5 0.5
O B:HOH2097 3.9 34.8 1.0
O B:HOH2060 3.9 33.5 1.0
NE2 B:GLN111 4.1 19.8 1.0
OE2 B:GLU227 4.2 27.1 1.0
OE1 B:GLU93 4.5 18.3 1.0
NZ B:LYS136 4.6 17.5 1.0
CE B:LYS60 4.6 29.0 0.6
SG B:CYS31 4.7 23.9 1.0
ND1 B:HIS201 4.8 24.3 1.0
O B:CYS31 4.8 16.4 1.0

Reference:

A.R.Nazmi, L.R.Schofield, R.C.J.Dobson, G.B.Jameson, E.J.Parker. Destabilization of the Homotetrameric Assembly of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From the Hyperthermophile Pyrococcus Furiosus Enhances Enzymatic Activity J.Mol.Biol. V. 426 656 2014.
ISSN: ISSN 0022-2836
PubMed: 24239948
DOI: 10.1016/J.JMB.2013.11.008
Page generated: Sat Dec 12 10:28:07 2020

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