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Chlorine in PDB 4jti: Crystal Structure of F114R/R117Q/F139G Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of F114R/R117Q/F139G Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of F114R/R117Q/F139G Mutant 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 F114R/R117Q/F139G Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jti was solved by T.M.Allison, F.C.Cochrane, 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) 40.82 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.670, 85.200, 162.850, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 18.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of F114R/R117Q/F139G Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 4jti). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of F114R/R117Q/F139G Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jti:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4jti

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Chlorine binding site 1 out of 5 in the Crystal Structure of F114R/R117Q/F139G Mutant 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 F114R/R117Q/F139G Mutant 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:Cl301

b:20.9
occ:1.00
 NH2 B:ARG165 3.1 20.7 1.0
O B:HOH518 3.1 28.1 1.0
N B:GLN138 3.2 16.3 1.0
O B:HOH475 3.3 25.4 1.0
CD B:ARG114 3.7 21.9 1.0
NH1 B:ARG165 3.7 24.2 1.0
CA B:PRO137 3.7 15.9 1.0
CB B:ALA113 3.8 17.0 1.0
CG B:GLN138 3.8 26.9 1.0
CZ B:ARG165 3.9 22.2 1.0
CD B:GLN138 4.0 25.3 1.0
CB B:GLN138 4.0 19.2 1.0
C B:PRO137 4.0 15.1 1.0
CG B:ARG114 4.0 18.4 1.0
CA B:GLN138 4.2 16.3 1.0
OE1 B:GLN138 4.2 29.8 1.0
CB B:PRO137 4.3 16.4 1.0
NE2 B:GLN138 4.3 28.8 1.0
O B:HOH585 4.4 33.6 1.0
N B:ARG114 4.5 13.8 1.0
O D:HOH451 4.6 31.4 1.0
C B:ALA113 4.6 14.6 1.0
O B:HOH505 4.8 34.2 1.0
CA B:ALA113 4.9 15.7 1.0
CA B:ARG114 4.9 15.6 1.0
O B:LYS136 4.9 15.7 1.0
N B:PRO137 5.0 15.7 1.0

Chlorine binding site 2 out of 5 in 4jti

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Chlorine binding site 2 out of 5 in the Crystal Structure of F114R/R117Q/F139G Mutant 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 F114R/R117Q/F139G Mutant 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:Cl301

b:28.5
occ:1.00
 O A:HOH429 3.0 40.6 1.0
N C:ILE63 3.2 23.5 1.0
O C:HOH430 3.3 23.3 1.0
CA C:SER62 3.6 25.8 1.0
CB C:SER62 3.8 28.2 1.0
C C:SER62 3.9 22.4 1.0
CG1 C:ILE63 3.9 35.8 1.0
CG A:GLU154 3.9 26.0 1.0
CB A:GLU154 3.9 22.0 1.0
CG A:LYS151 4.0 24.3 1.0
CG2 C:ILE63 4.1 34.3 1.0
CA A:LYS151 4.2 20.0 1.0
OG C:SER62 4.2 33.6 1.0
CA C:ILE63 4.3 25.3 1.0
CB C:ILE63 4.3 31.0 1.0
CB A:LYS151 4.5 21.3 1.0
O C:HOH481 4.7 33.2 1.0
N A:LYS151 4.7 18.5 1.0
CD1 C:ILE63 4.7 38.4 1.0
O A:GLU150 4.8 18.8 1.0
CD A:GLU154 4.9 27.4 1.0
N C:SER62 4.9 27.5 1.0
C A:GLU150 5.0 20.6 1.0
O C:SER61 5.0 33.5 1.0
N C:HIS64 5.0 24.4 1.0

Chlorine binding site 3 out of 5 in 4jti

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Chlorine binding site 3 out of 5 in the Crystal Structure of F114R/R117Q/F139G Mutant 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 3 of Crystal Structure of F114R/R117Q/F139G Mutant 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:Cl302

b:29.1
occ:1.00
 NH1 C:ARG165 2.9 50.3 1.0
N C:GLN138 3.2 18.6 1.0
CG C:GLN138 3.5 29.8 1.0
CB C:ALA113 3.7 25.7 1.0
NE2 C:GLN138 3.7 42.6 1.0
CD C:ARG114 3.7 37.9 1.0
CZ C:ARG165 3.8 52.4 1.0
CD C:GLN138 3.8 40.3 1.0
CA C:PRO137 3.8 17.6 1.0
O C:HOH574 3.8 36.0 1.0
NH2 C:ARG165 3.8 56.2 1.0
CB C:GLN138 3.9 23.1 1.0
O C:HOH526 4.0 41.7 1.0
C C:PRO137 4.0 16.8 1.0
CA C:GLN138 4.1 17.9 1.0
CG C:ARG114 4.2 32.2 1.0
CB C:PRO137 4.4 18.6 1.0
N C:ARG114 4.5 22.9 1.0
C C:ALA113 4.6 23.1 1.0
OE1 C:GLN138 4.6 51.6 1.0
CA C:ALA113 4.7 21.2 1.0
O C:LYS136 4.9 17.3 1.0
NE C:ARG165 4.9 46.0 1.0
NE C:ARG114 5.0 39.3 1.0
CA C:ARG114 5.0 22.9 1.0
O C:ALA113 5.0 20.9 1.0

Chlorine binding site 4 out of 5 in 4jti

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Chlorine binding site 4 out of 5 in the Crystal Structure of F114R/R117Q/F139G Mutant 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 4 of Crystal Structure of F114R/R117Q/F139G Mutant 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:Cl303

b:42.6
occ:1.00
 NE2 C:GLN110 3.1 27.2 1.0
NZ C:LYS135 3.3 36.0 1.0
CZ C:PHE234 3.5 32.1 1.0
CE C:LYS52 3.6 36.4 1.0
CE1 C:HIS199 3.7 37.8 1.0
CE1 C:PHE234 3.7 29.3 1.0
OE2 C:GLU236 3.9 50.3 1.0
NZ C:LYS52 4.0 37.7 1.0
O C:HOH451 4.0 28.3 1.0
CE C:LYS135 4.0 35.2 1.0
ND1 C:HIS199 4.2 28.4 1.0
CD C:GLN110 4.3 25.3 1.0
CD C:LYS52 4.4 30.0 1.0
OE1 C:GLN110 4.6 20.7 1.0
NE2 C:HIS199 4.7 36.0 1.0
O C:HOH471 4.8 33.3 1.0
CE2 C:PHE234 4.8 28.1 1.0
OD2 C:ASP196 4.9 21.8 1.0

Chlorine binding site 5 out of 5 in 4jti

Go back to Chlorine Binding Sites List in 4jti
Chlorine binding site 5 out of 5 in the Crystal Structure of F114R/R117Q/F139G Mutant 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 5 of Crystal Structure of F114R/R117Q/F139G Mutant 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:Cl301

b:37.6
occ:1.00
 NZ D:LYS135 3.2 36.6 1.0
NE2 D:GLN110 3.3 30.2 1.0
CE1 D:HIS199 3.5 32.5 1.0
CZ D:PHE234 3.5 24.4 1.0
CE1 D:PHE234 3.7 26.7 1.0
CE D:LYS52 3.8 39.6 1.0
OE2 D:GLU236 3.9 47.8 1.0
CE D:LYS135 4.0 33.0 1.0
NZ D:LYS52 4.0 43.4 1.0
ND1 D:HIS199 4.0 25.3 1.0
O D:HOH437 4.3 27.0 1.0
CD D:GLN110 4.4 26.6 1.0
NE2 D:HIS199 4.5 32.7 1.0
CD D:LYS52 4.5 36.2 1.0
O D:HOH431 4.6 35.1 1.0
OE1 D:GLN110 4.7 22.9 1.0
OD2 D:ASP196 4.8 19.7 1.0
CE2 D:PHE234 4.8 23.3 1.0

Reference:

T.M.Allison, F.C.Cochrane, G.B.Jameson, E.J.Parker. Examining the Role of Intersubunit Contacts in Catalysis By 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase. Biochemistry V. 52 4676 2013.
ISSN: ISSN 0006-2960
PubMed: 23746359
DOI: 10.1021/BI400521F
Page generated: Fri Jul 11 17:30:23 2025

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