Chlorine in PDB 4jte: Crystal Structure of F114A Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of F114A Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of F114A 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 F114A Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jte 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) 39.95 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.355, 85.473, 163.057, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 26.7

Other elements in 4jte:

The structure of Crystal Structure of F114A 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 F114A Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 4jte). 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 F114A Mutant of 3-Deoxy-D-Manno-Octulosonate 8- Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 4jte:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4jte

Go back to Chlorine Binding Sites List in 4jte
Chlorine binding site 1 out of 2 in the Crystal Structure of F114A 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 F114A 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:70.1
occ:1.00
NE2 C:GLN110 3.3 52.7 1.0
CZ C:PHE234 3.4 41.9 1.0
CE1 C:PHE234 3.8 39.2 1.0
NZ C:LYS52 4.0 51.3 1.0
NZ C:LYS135 4.0 51.9 1.0
CD C:LYS52 4.1 45.4 1.0
NE2 C:HIS199 4.1 34.2 0.5
CE C:LYS135 4.2 58.5 1.0
CD C:GLN110 4.4 46.3 1.0
CE C:LYS52 4.5 48.5 1.0
OE1 C:GLN110 4.5 37.7 1.0
CE2 C:PHE234 4.6 39.8 1.0
CG C:LYS52 4.7 37.8 1.0
CD2 C:HIS199 4.7 31.8 0.5

Chlorine binding site 2 out of 2 in 4jte

Go back to Chlorine Binding Sites List in 4jte
Chlorine binding site 2 out of 2 in the Crystal Structure of F114A 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 F114A 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:65.6
occ:1.00
NZ D:LYS135 3.1 63.2 1.0
CE D:LYS135 3.3 57.9 1.0
NE2 D:GLN110 3.4 41.7 1.0
NE2 D:HIS199 3.5 55.5 1.0
CE D:LYS52 3.6 61.9 1.0
CZ D:PHE234 3.8 39.1 1.0
CE1 D:PHE234 3.9 40.6 1.0
CD2 D:HIS199 4.0 44.4 1.0
OE2 D:GLU236 4.1 65.4 1.0
NZ D:LYS52 4.2 59.8 1.0
O D:HOH455 4.2 49.2 1.0
CE1 D:HIS199 4.5 54.6 1.0
CD D:GLN110 4.6 45.3 1.0
OD2 D:ASP196 4.6 36.9 1.0
CD D:LYS135 4.8 51.6 1.0
O D:HOH401 4.8 32.2 1.0
CD D:LYS52 4.8 60.6 1.0
OE1 D:GLN110 4.9 40.3 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: Sat Dec 12 10:48:55 2020

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