Atomistry » Chlorine » PDB 4jk9-4jtg » 4jtf
Atomistry »
  Chlorine »
    PDB 4jk9-4jtg »
      4jtf »

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

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

All present enzymatic activity of Crystal Structure of F114R 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 Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jtf 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) 39.70 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.862, 85.200, 163.359, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 21.5

Other elements in 4jtf:

The structure of Crystal Structure of F114R 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 Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 4jtf). 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 Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jtf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4jtf

Go back to Chlorine Binding Sites List in 4jtf
Chlorine binding site 1 out of 6 in the Crystal Structure of F114R 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 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:Cl302

b:28.8
occ:1.00
 O B:HOH491 2.9 41.4 1.0
N B:ILE63 3.3 23.7 1.0
CG1 B:ILE63 3.8 27.8 1.0
CA B:SER62 3.8 25.0 1.0
CG D:GLU154 3.9 28.5 1.0
CG D:LYS151 3.9 26.8 1.0
CB B:SER62 3.9 32.2 1.0
CB D:GLU154 4.0 28.0 1.0
C B:SER62 4.0 22.8 1.0
CA D:LYS151 4.1 24.6 1.0
CG2 B:ILE63 4.2 27.7 1.0
CB B:ILE63 4.2 26.6 1.0
OG B:SER62 4.2 39.4 1.0
CA B:ILE63 4.3 24.1 1.0
CB D:LYS151 4.4 23.8 1.0
CD1 B:ILE63 4.6 32.2 1.0
N D:LYS151 4.7 22.4 1.0
O B:HOH492 4.7 46.6 1.0
O D:GLU150 4.8 23.4 1.0
O B:SER61 4.9 30.4 1.0
O D:LYS151 5.0 25.4 1.0
CD D:GLU154 5.0 28.2 1.0
N B:HIS64 5.0 24.9 1.0
C D:GLU150 5.0 23.9 1.0

Chlorine binding site 2 out of 6 in 4jtf

Go back to Chlorine Binding Sites List in 4jtf
Chlorine binding site 2 out of 6 in the Crystal Structure of F114R 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 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:Cl303

b:36.1
occ:1.00
 N B:GLN138 3.1 23.8 1.0
CB B:ALA113 3.6 37.3 1.0
CG B:GLN138 3.6 27.2 1.0
CA B:PRO137 3.7 26.9 1.0
OE1 B:GLN138 3.8 38.1 1.0
C B:PRO137 3.9 25.4 1.0
CB B:GLN138 4.0 23.1 1.0
CD B:GLN138 4.1 31.5 1.0
CA B:GLN138 4.1 22.2 1.0
CB B:PRO137 4.3 27.1 1.0
CE1 B:PHE139 4.4 43.9 1.0
CD1 B:PHE139 4.6 37.1 1.0
NH2 B:ARG165 4.6 61.6 1.0
O D:HOH477 4.7 48.5 1.0
O B:LYS136 4.7 22.6 1.0
CA B:ALA113 4.8 35.0 1.0
C B:ALA113 4.9 35.9 1.0
N B:PRO137 4.9 24.7 1.0
N B:ARG114 5.0 35.4 1.0

Chlorine binding site 3 out of 6 in 4jtf

Go back to Chlorine Binding Sites List in 4jtf
Chlorine binding site 3 out of 6 in the Crystal Structure of F114R 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 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:34.5
occ:1.00
 N C:GLN138 3.3 23.5 1.0
NE C:ARG165 3.3 50.2 1.0
NE2 C:GLN138 3.5 32.3 1.0
CG C:GLN138 3.6 25.1 1.0
CB C:ALA113 3.6 37.1 1.0
NH2 C:ARG165 3.9 45.3 1.0
CZ C:ARG165 3.9 45.3 1.0
CB C:GLN138 3.9 25.8 1.0
CA C:PRO137 3.9 24.6 1.0
CD C:ARG165 4.0 36.0 1.0
CD C:GLN138 4.1 27.9 1.0
C C:PRO137 4.1 22.9 1.0
CA C:GLN138 4.2 23.2 1.0
CE2 C:PHE139 4.5 43.7 1.0
CB C:PRO137 4.6 26.2 1.0
CD2 C:PHE139 4.8 43.1 1.0
O C:LYS136 4.8 24.8 1.0
CA C:ALA113 4.9 34.5 1.0
NH1 C:ARG165 4.9 41.0 1.0
C C:ALA113 5.0 35.3 1.0

Chlorine binding site 4 out of 6 in 4jtf

Go back to Chlorine Binding Sites List in 4jtf
Chlorine binding site 4 out of 6 in the Crystal Structure of F114R 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 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:40.3
occ:1.00
 NZ C:LYS135 3.1 41.8 1.0
NE2 C:GLN110 3.2 34.7 1.0
CE1 C:HIS199 3.6 34.0 1.0
CZ C:PHE234 3.7 34.8 1.0
CE C:LYS52 3.7 39.5 1.0
CE C:LYS135 3.9 46.9 1.0
CE1 C:PHE234 3.9 34.4 1.0
O C:HOH445 3.9 33.6 1.0
NZ C:LYS52 4.0 40.5 1.0
ND1 C:HIS199 4.0 29.8 1.0
OE2 C:GLU236 4.2 37.1 1.0
CD C:GLN110 4.3 27.5 1.0
NE2 C:HIS199 4.5 31.9 1.0
OD2 C:ASP196 4.6 23.8 1.0
O C:HOH460 4.6 37.5 1.0
OE1 C:GLN110 4.7 24.7 1.0
CD C:LYS52 4.9 34.8 1.0
CE2 C:PHE234 4.9 32.0 1.0

Chlorine binding site 5 out of 6 in 4jtf

Go back to Chlorine Binding Sites List in 4jtf
Chlorine binding site 5 out of 6 in the Crystal Structure of F114R 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 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:34.9
occ:1.00
 NZ D:LYS135 3.2 39.3 1.0
NE2 D:GLN110 3.3 32.0 1.0
CE1 D:HIS199 3.4 32.0 1.0
CE D:LYS52 3.6 36.4 1.0
CZ D:PHE234 3.7 25.6 1.0
NZ D:LYS52 3.8 35.0 1.0
CE1 D:PHE234 3.8 27.9 1.0
ND1 D:HIS199 3.9 28.5 1.0
CE D:LYS135 4.0 35.5 1.0
OE2 D:GLU236 4.0 38.4 1.0
O D:HOH411 4.2 26.8 1.0
NE2 D:HIS199 4.3 31.6 1.0
CD D:GLN110 4.4 27.8 1.0
OD2 D:ASP196 4.5 23.7 1.0
OE1 D:GLN110 4.7 25.0 1.0
O D:HOH410 4.7 32.6 1.0
CD D:LYS52 4.8 34.6 1.0
CE2 D:PHE234 4.9 25.3 1.0
CG D:HIS199 5.0 27.6 1.0

Chlorine binding site 6 out of 6 in 4jtf

Go back to Chlorine Binding Sites List in 4jtf
Chlorine binding site 6 out of 6 in the Crystal Structure of F114R 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 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:Cl303

b:40.0
occ:1.00
 N D:GLN138 3.1 25.8 1.0
NE2 D:GLN138 3.2 47.3 1.0
CG D:GLN138 3.3 32.5 1.0
NE D:ARG165 3.5 46.5 1.0
CB D:ALA113 3.6 28.1 1.0
CB D:GLN138 3.7 29.4 1.0
CD D:GLN138 3.7 40.6 1.0
CA D:PRO137 3.9 24.6 1.0
C D:PRO137 4.0 24.1 1.0
CA D:GLN138 4.0 25.4 1.0
CD D:ARG165 4.1 37.1 1.0
CZ D:ARG165 4.1 43.4 1.0
NH2 D:ARG165 4.2 48.8 1.0
CB D:PRO137 4.5 25.9 1.0
CE2 D:PHE139 4.6 38.5 1.0
CD2 D:PHE139 4.7 31.6 1.0
C D:ALA113 4.7 25.7 1.0
N D:ARG114 4.8 28.4 1.0
O D:LYS136 4.8 23.4 1.0
CA D:ALA113 4.8 25.7 1.0
OE1 D:GLN138 4.9 43.0 1.0
NH1 D:ARG165 5.0 38.3 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: Sun Jul 21 17:41:52 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy