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Chlorine in PDB 3qpy: Crystal Structure of A Mutant (K57A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of A Mutant (K57A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of A Mutant (K57A) 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 A Mutant (K57A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3qpy was solved by T.M.Allison, 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) 33.84 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.428, 86.183, 163.312, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 25.2

Other elements in 3qpy:

The structure of Crystal Structure of A Mutant (K57A) 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 A Mutant (K57A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 3qpy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Mutant (K57A) of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3qpy:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3qpy

Go back to Chlorine Binding Sites List in 3qpy
Chlorine binding site 1 out of 3 in the Crystal Structure of A Mutant (K57A) 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 A Mutant (K57A) 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:29.5
occ:1.00
 N A:GLN138 3.2 27.3 1.0
NE2 A:GLN138 3.2 40.3 1.0
CE1 A:PHE114 3.6 38.5 1.0
CB A:ALA113 3.6 31.0 1.0
CG A:GLN138 3.6 31.2 1.0
CB A:GLN138 3.8 26.3 1.0
CD1 A:PHE114 3.8 37.1 1.0
CA A:PRO137 3.9 27.8 1.0
NE A:ARG165 3.9 52.1 1.0
CD A:GLN138 3.9 36.4 1.0
C A:PRO137 4.0 27.3 1.0
CD A:ARG165 4.1 41.5 1.0
CA A:GLN138 4.1 28.0 1.0
CZ A:ARG165 4.3 49.1 1.0
CB A:PRO137 4.5 28.3 1.0
CE1 A:PHE139 4.5 41.9 1.0
CD1 A:PHE139 4.5 38.9 1.0
C A:ALA113 4.7 33.7 1.0
CA A:ALA113 4.8 31.2 1.0
NH2 A:ARG165 4.8 48.5 1.0
CZ A:PHE114 4.8 35.3 1.0
NH1 A:ARG165 4.8 56.2 1.0
N A:PHE114 4.9 32.9 1.0
O A:ALA113 4.9 33.0 1.0
O A:LYS136 4.9 27.6 1.0

Chlorine binding site 2 out of 3 in 3qpy

Go back to Chlorine Binding Sites List in 3qpy
Chlorine binding site 2 out of 3 in the Crystal Structure of A Mutant (K57A) 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 A Mutant (K57A) 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:Cl282

b:19.6
occ:0.50
 NH2 C:ARG165 1.6 38.2 0.5
CZ C:ARG165 2.9 42.1 0.5
NE2 C:GLN138 3.1 45.6 1.0
N C:GLN138 3.2 26.1 1.0
CG C:GLN138 3.5 31.6 1.0
NE C:ARG165 3.7 38.1 0.5
CA C:PRO137 3.7 26.6 1.0
CB C:ALA113 3.8 25.2 1.0
CD C:GLN138 3.8 42.0 1.0
NH1 C:ARG165 3.8 45.1 0.5
NE C:ARG165 3.9 41.0 0.5
CB C:GLN138 4.0 27.1 1.0
C C:PRO137 4.0 26.9 1.0
CA C:GLN138 4.2 27.9 1.0
CZ C:ARG165 4.3 40.6 0.5
CB C:PRO137 4.4 28.4 1.0
CD C:ARG165 4.4 32.6 0.5
NH2 C:ARG165 4.5 41.8 0.5
CE1 C:PHE139 4.6 39.6 1.0
CD1 C:PHE139 4.7 39.5 1.0
O C:LYS136 4.9 27.2 1.0
N C:PRO137 5.0 27.3 1.0
C C:ALA113 5.0 27.7 1.0

Chlorine binding site 3 out of 3 in 3qpy

Go back to Chlorine Binding Sites List in 3qpy
Chlorine binding site 3 out of 3 in the Crystal Structure of A Mutant (K57A) 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 A Mutant (K57A) 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:Cl281

b:27.5
occ:1.00
 N D:GLN138 3.2 23.5 1.0
NE2 D:GLN138 3.6 35.2 1.0
CG D:GLN138 3.6 29.1 1.0
NE D:ARG165 3.7 48.2 1.0
CB D:ALA113 3.7 29.6 1.0
CA D:PRO137 3.8 25.5 1.0
CE1 D:PHE114 3.9 42.1 1.0
CB D:GLN138 3.9 23.6 1.0
C D:PRO137 4.0 24.7 1.0
CD1 D:PHE114 4.1 38.2 1.0
CD D:GLN138 4.2 35.2 1.0
CA D:GLN138 4.2 24.5 1.0
CD D:ARG165 4.4 41.5 1.0
NH2 D:ARG165 4.4 51.6 1.0
CB D:PRO137 4.4 26.8 1.0
CZ D:ARG165 4.4 46.9 1.0
C D:ALA113 4.7 32.9 1.0
N D:PHE114 4.8 33.0 1.0
CA D:ALA113 4.8 32.1 1.0
CD1 D:PHE139 4.9 36.1 1.0
O D:HOH302 4.9 48.5 1.0
CZ B:PHE139 4.9 43.3 1.0
O D:ALA113 4.9 33.1 1.0
CE2 B:PHE139 5.0 39.2 1.0
CZ D:PHE114 5.0 40.5 1.0

Reference:

T.M.Allison, R.D.Hutton, F.C.Cochrane, J.A.Yeoman, G.B.Jameson, E.J.Parker. Targeting the Role of A Key Conserved Motif For Substrate Selection and Catalysis By 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase Biochemistry V. 50 3686 2011.
ISSN: ISSN 0006-2960
PubMed: 21438567
DOI: 10.1021/BI200251F
Page generated: Sun Jul 21 03:04:09 2024

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