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Chlorine in PDB 3fyp: Crystal Structure of the Quadruple Mutant (N23C/C246S/D247E/P249A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of the Quadruple Mutant (N23C/C246S/D247E/P249A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of the Quadruple Mutant (N23C/C246S/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 Quadruple Mutant (N23C/C246S/D247E/P249A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3fyp 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) 37.96 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.781, 85.679, 163.828, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 24.7

Other elements in 3fyp:

The structure of Crystal Structure of the Quadruple Mutant (N23C/C246S/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) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Quadruple Mutant (N23C/C246S/D247E/P249A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 3fyp). 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 Quadruple Mutant (N23C/C246S/D247E/P249A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3fyp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3fyp

Go back to Chlorine Binding Sites List in 3fyp
Chlorine binding site 1 out of 2 in the Crystal Structure of the Quadruple Mutant (N23C/C246S/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 Quadruple Mutant (N23C/C246S/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
A:Cl281

b:33.2
occ:1.00
 CE1 A:HIS37 3.4 34.4 1.0
N A:GLU258 3.4 22.9 1.0
C A:HIS255 3.4 33.7 1.0
N A:LEU257 3.4 23.6 1.0
CA A:HIS255 3.5 35.8 1.0
CB A:LEU257 3.6 24.1 1.0
CB A:HIS255 3.6 31.9 1.0
N A:LEU256 3.7 30.9 1.0
NE2 A:HIS37 3.7 34.7 1.0
O A:HIS255 3.8 29.3 1.0
CA A:LEU257 3.9 23.2 1.0
CG A:GLU258 4.0 30.6 1.0
CG2 A:VAL41 4.0 22.4 1.0
CB A:GLU258 4.1 30.2 1.0
C A:LEU257 4.1 18.1 1.0
OE1 A:GLU258 4.3 30.2 1.0
CA A:GLU258 4.3 24.8 1.0
C A:LEU256 4.4 28.2 1.0
CD A:GLU258 4.5 31.9 1.0
ND1 A:HIS37 4.6 34.2 1.0
CG A:HIS255 4.7 31.5 1.0
CA A:LEU256 4.7 29.9 1.0
ND1 A:HIS255 4.7 34.6 1.0
CG A:LEU257 4.8 22.2 1.0
N A:HIS255 4.9 41.5 1.0

Chlorine binding site 2 out of 2 in 3fyp

Go back to Chlorine Binding Sites List in 3fyp
Chlorine binding site 2 out of 2 in the Crystal Structure of the Quadruple Mutant (N23C/C246S/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 Quadruple Mutant (N23C/C246S/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
D:Cl282

b:37.8
occ:0.50
 O1 D:PEP281 0.6 23.5 0.5
C1 D:PEP281 1.5 24.5 0.5
O2' D:PEP281 2.3 26.0 0.5
C2 D:PEP281 2.7 23.5 0.5
O2 D:PEP281 2.9 21.1 0.5
NE2 D:GLN110 3.0 21.1 1.0
NZ D:LYS135 3.3 26.9 1.0
CE D:LYS52 3.4 37.2 1.0
CE1 D:HIS199 3.5 29.2 1.0
CZ D:PHE234 3.5 21.0 1.0
NZ D:LYS52 3.7 36.7 1.0
CE2 D:PHE234 3.8 20.8 1.0
CE D:LYS135 3.8 27.5 1.0
C3 D:PEP281 3.9 24.9 0.5
ND1 D:HIS199 4.1 23.7 1.0
CD D:GLN110 4.1 23.8 1.0
OE2 D:GLU236 4.2 40.7 1.0
O D:HOH485 4.2 23.8 1.0
NE2 D:HIS199 4.3 28.6 1.0
OE1 D:GLN110 4.4 22.1 1.0
P D:PEP281 4.5 22.3 0.5
CD D:LYS52 4.6 34.5 1.0
OD2 D:ASP196 4.7 22.9 1.0
CE1 D:PHE234 4.7 20.2 1.0
O D:HOH541 4.8 19.9 0.5
O1P D:PEP281 5.0 17.7 0.5

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 Dec 12 09:42:53 2020

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