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Chlorine in PDB 3fyo: Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis:
2.5.1.55;

Protein crystallography data

The structure of Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3fyo was solved by G.B.Jameson, E.J.Parker, F.P.Cochrane, M.L.Patchett, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.94 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.740, 86.197, 163.891, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 25.7

Other elements in 3fyo:

The structure of Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis also contains other interesting chemical elements:

Manganese (Mn) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 3fyo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3fyo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3fyo

Go back to Chlorine Binding Sites List in 3fyo
Chlorine binding site 1 out of 2 in the Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis


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 the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl281

b:15.5
occ:0.50
 O D:HOH542 3.0 32.5 1.0
O B:HOH401 3.2 25.6 1.0
N B:ILE63 3.3 19.2 1.0
CB B:SER62 3.6 25.8 1.0
CG1 B:ILE63 3.7 26.4 1.0
CA B:SER62 3.8 23.7 1.0
CG D:GLU154 3.9 30.8 1.0
CG2 B:ILE63 3.9 25.5 1.0
C B:SER62 4.0 22.3 1.0
CG D:LYS151 4.0 25.2 1.0
CB D:GLU154 4.1 25.8 1.0
CB B:ILE63 4.2 21.1 1.0
CA D:LYS151 4.2 23.6 1.0
CA B:ILE63 4.3 20.9 1.0
OG B:SER62 4.5 33.8 1.0
CB D:LYS151 4.5 23.8 1.0
CD1 B:ILE63 4.6 29.8 1.0
OE2 D:GLU150 4.7 25.6 0.5
O B:HOH543 4.8 32.6 1.0
N D:LYS151 4.9 24.0 1.0
O D:GLU150 4.9 23.7 1.0
CD D:GLU154 4.9 34.8 1.0
N B:HIS64 5.0 20.0 1.0

Chlorine binding site 2 out of 2 in 3fyo

Go back to Chlorine Binding Sites List in 3fyo
Chlorine binding site 2 out of 2 in the Crystal Structure of the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis


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 the Triple Mutant (N23C/D247E/P249A) of 3-Deoxy- D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl281

b:24.2
occ:0.50
 O C:HOH350 2.6 30.5 0.5
NE2 C:GLN110 3.1 27.1 1.0
NZ C:LYS135 3.4 31.5 1.0
CE C:LYS52 3.5 35.1 1.0
CE1 C:HIS199 3.6 29.5 1.0
CZ C:PHE234 3.6 33.5 1.0
NZ C:LYS52 3.6 36.6 1.0
CE2 C:PHE234 3.9 32.0 1.0
CE C:LYS135 3.9 34.4 1.0
O C:HOH508 4.0 32.6 1.0
ND1 C:HIS199 4.1 25.7 1.0
OE2 C:GLU236 4.2 35.8 1.0
CD C:GLN110 4.3 26.1 1.0
O C:HOH349 4.5 26.3 0.5
NE2 C:HIS199 4.6 33.2 1.0
OE1 C:GLN110 4.6 25.1 1.0
OD2 C:ASP196 4.7 25.7 1.0
CD C:LYS52 4.8 29.2 1.0
O C:HOH285 4.8 40.9 1.0
CE1 C:PHE234 4.8 26.6 1.0

Reference:

F.C.Cochrane, T.V.Cookson, G.B.Jameson, E.J.Parker. Reversing Evolution: Re-Establishing Obligate Metal Ion Dependence in A Metal-Independent KDO8P Synthase J.Mol.Biol. V. 390 646 2009.
ISSN: ISSN 0022-2836
PubMed: 19447118
DOI: 10.1016/J.JMB.2009.05.014
Page generated: Sat Jul 20 19:45:55 2024

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