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Chlorine in PDB 4jtg: Crystal Structure of F114R/R117A Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of F114R/R117A Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of F114R/R117A 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/R117A Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jtg 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) 33.58 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.590, 85.370, 163.350, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.1

Other elements in 4jtg:

The structure of Crystal Structure of F114R/R117A Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of F114R/R117A Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 4jtg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of F114R/R117A Mutant of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jtg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4jtg

Go back to Chlorine Binding Sites List in 4jtg
Chlorine binding site 1 out of 6 in the Crystal Structure of F114R/R117A 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/R117A 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
A:Cl301

b:33.1
occ:1.00
 N A:GLN138 3.3 18.6 1.0
NE2 A:GLN138 3.4 36.8 1.0
CG A:GLN138 3.4 26.9 1.0
CB A:ALA113 3.5 22.4 1.0
NE A:ARG165 3.6 35.8 1.0
CB A:GLN138 3.8 21.5 1.0
CD A:GLN138 3.9 32.4 1.0
CA A:PRO137 3.9 18.4 1.0
C A:PRO137 4.1 17.5 1.0
CA A:GLN138 4.2 19.3 1.0
CZ A:ARG165 4.2 35.5 1.0
CD A:ARG165 4.2 26.2 1.0
NH2 A:ARG165 4.2 39.1 1.0
N A:ARG114 4.3 23.3 1.0
CG A:ARG114 4.3 31.7 1.0
C A:ALA113 4.4 23.6 1.0
CE2 A:PHE139 4.4 31.9 1.0
CA A:ALA113 4.6 21.3 1.0
CB A:PRO137 4.6 20.2 1.0
CD2 A:PHE139 4.7 29.1 1.0
CA A:ARG114 4.7 25.2 1.0
O A:HOH422 4.8 21.6 1.0
O A:LYS136 5.0 16.5 1.0
O A:ALA113 5.0 24.3 1.0

Chlorine binding site 2 out of 6 in 4jtg

Go back to Chlorine Binding Sites List in 4jtg
Chlorine binding site 2 out of 6 in the Crystal Structure of F114R/R117A 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/R117A 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:21.8
occ:1.00
 NH1 B:ARG165 3.0 29.7 1.0
N B:GLN138 3.2 16.6 1.0
CG B:GLN138 3.5 23.0 1.0
CA B:PRO137 3.6 15.8 1.0
NH2 B:ARG165 3.7 30.4 1.0
CZ B:ARG165 3.8 29.6 1.0
CB B:ALA113 3.8 15.9 1.0
C B:PRO137 3.9 15.5 1.0
NE2 B:GLN138 3.9 35.3 1.0
CB B:GLN138 4.0 19.1 1.0
CE2 B:PHE139 4.0 26.0 1.0
CD B:ARG114 4.1 24.0 1.0
CA B:GLN138 4.2 17.1 1.0
CB B:PRO137 4.2 16.3 1.0
CD B:GLN138 4.3 28.4 1.0
CD2 B:PHE139 4.3 24.6 1.0
CG B:ARG114 4.4 22.5 1.0
N B:ARG114 4.7 15.9 1.0
C B:ALA113 4.8 17.4 1.0
N B:PRO137 4.9 14.4 1.0
O B:LYS136 4.9 14.7 1.0
CA B:ALA113 4.9 16.2 1.0

Chlorine binding site 3 out of 6 in 4jtg

Go back to Chlorine Binding Sites List in 4jtg
Chlorine binding site 3 out of 6 in the Crystal Structure of F114R/R117A 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/R117A 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:22.3
occ:1.00
 O C:HOH550 3.1 44.6 1.0
N C:GLN138 3.2 16.1 1.0
NE C:ARG165 3.5 36.1 1.0
NE C:ARG114 3.5 40.3 1.0
CG C:GLN138 3.5 20.1 1.0
NE2 C:GLN138 3.6 27.1 1.0
CB C:ALA113 3.8 20.4 1.0
CA C:PRO137 3.8 14.7 1.0
CB C:GLN138 4.0 18.6 1.0
C C:PRO137 4.0 15.2 1.0
NH2 C:ARG165 4.0 31.9 1.0
CZ C:ARG165 4.1 32.8 1.0
CD C:GLN138 4.1 23.6 1.0
NH2 C:ARG114 4.2 41.9 1.0
CA C:GLN138 4.2 16.6 1.0
CD C:ARG165 4.3 26.5 1.0
CZ C:ARG114 4.3 43.2 1.0
CD C:ARG114 4.4 36.3 1.0
CE2 C:PHE139 4.4 24.8 1.0
CB C:PRO137 4.5 15.6 1.0
CD2 C:PHE139 4.6 24.0 1.0
CG C:ARG114 4.9 31.8 1.0
O C:LYS136 4.9 14.2 1.0

Chlorine binding site 4 out of 6 in 4jtg

Go back to Chlorine Binding Sites List in 4jtg
Chlorine binding site 4 out of 6 in the Crystal Structure of F114R/R117A 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/R117A 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:32.1
occ:1.00
 NZ C:LYS135 3.1 33.3 1.0
NE2 C:GLN110 3.2 21.7 1.0
CE C:LYS52 3.4 27.1 0.5
CE1 C:HIS199 3.6 24.0 1.0
CZ C:PHE234 3.6 23.4 1.0
CE C:LYS135 3.7 32.2 1.0
CE1 C:PHE234 3.8 24.9 1.0
CE C:LYS52 3.8 21.0 0.5
NZ C:LYS52 3.9 21.3 0.5
ND1 C:HIS199 4.1 20.9 1.0
OE2 C:GLU236 4.1 35.9 1.0
NZ C:LYS52 4.1 25.7 0.5
O C:HOH454 4.2 21.7 1.0
CD C:GLN110 4.3 18.3 1.0
CD C:LYS52 4.5 23.9 0.5
NE2 C:HIS199 4.5 23.5 1.0
OD2 C:ASP196 4.6 16.0 1.0
OE1 C:GLN110 4.6 17.2 1.0
O C:HOH450 4.7 27.5 1.0
CD C:LYS52 4.8 19.4 0.5
CE2 C:PHE234 4.9 22.1 1.0

Chlorine binding site 5 out of 6 in 4jtg

Go back to Chlorine Binding Sites List in 4jtg
Chlorine binding site 5 out of 6 in the Crystal Structure of F114R/R117A 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/R117A 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:34.5
occ:1.00
 N D:GLN138 3.1 17.0 1.0
O D:HOH527 3.2 49.5 1.0
CG D:GLN138 3.4 24.1 1.0
NE2 D:GLN138 3.4 36.6 1.0
NE D:ARG165 3.6 38.1 1.0
CB D:ALA113 3.7 16.8 1.0
CB D:GLN138 3.8 19.9 1.0
CA D:PRO137 3.8 15.8 1.0
CD D:GLN138 3.9 30.7 1.0
C D:PRO137 4.0 16.2 1.0
CA D:GLN138 4.1 17.6 1.0
CD D:ARG165 4.2 29.8 1.0
CZ D:ARG165 4.3 38.8 1.0
CE2 D:PHE139 4.4 29.0 1.0
NH2 D:ARG165 4.4 43.3 1.0
CB D:PRO137 4.5 17.0 1.0
CD2 D:PHE139 4.6 25.1 1.0
O D:LYS136 4.7 13.7 1.0
CG D:ARG114 4.8 28.3 1.0
N D:ARG114 4.8 18.2 1.0
C D:ALA113 4.8 18.5 1.0
CA D:ALA113 4.9 16.4 1.0
N D:PRO137 5.0 14.9 1.0

Chlorine binding site 6 out of 6 in 4jtg

Go back to Chlorine Binding Sites List in 4jtg
Chlorine binding site 6 out of 6 in the Crystal Structure of F114R/R117A 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 6 of Crystal Structure of F114R/R117A 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:Cl302

b:27.8
occ:1.00
 NZ D:LYS135 3.1 29.4 1.0
NE2 D:GLN110 3.3 21.1 1.0
CE1 D:HIS199 3.4 22.8 1.0
CZ D:PHE234 3.6 19.5 1.0
CE D:LYS52 3.7 30.2 1.0
NZ D:LYS52 3.8 31.7 1.0
CE1 D:PHE234 3.8 19.6 1.0
CE D:LYS135 3.8 27.4 1.0
ND1 D:HIS199 3.9 20.0 1.0
OE2 D:GLU236 3.9 38.3 1.0
NE2 D:HIS199 4.3 24.5 1.0
O D:HOH416 4.4 17.9 1.0
CD D:GLN110 4.4 20.6 1.0
O D:HOH445 4.6 27.4 1.0
OD2 D:ASP196 4.6 15.6 1.0
OE1 D:GLN110 4.7 18.6 1.0
CD D:LYS52 4.7 28.6 1.0
CE2 D:PHE234 4.9 18.1 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: Sun Jul 21 17:42:13 2024

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