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Chlorine in PDB 3qq0: Crystal Structure of A Deletion Mutant (N59) of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of A Deletion Mutant (N59) of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of A Deletion Mutant (N59) 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 Deletion Mutant (N59) of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3qq0 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) 32.76 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.058, 85.744, 163.187, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 22.9

Other elements in 3qq0:

The structure of Crystal Structure of A Deletion Mutant (N59) of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Deletion Mutant (N59) of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 3qq0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Deletion Mutant (N59) of 3-Deoxy-D-Manno- Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3qq0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3qq0

Go back to Chlorine Binding Sites List in 3qq0
Chlorine binding site 1 out of 4 in the Crystal Structure of A Deletion Mutant (N59) 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 Deletion Mutant (N59) 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:Cl280

b:30.5
occ:1.00
 NH1 B:ARG164 3.1 36.3 1.0
N B:GLN137 3.2 21.1 1.0
CG B:GLN137 3.5 26.2 1.0
NH2 B:ARG164 3.6 37.3 1.0
CA B:PRO136 3.6 20.8 1.0
CZ B:ARG164 3.7 38.9 1.0
NE2 B:GLN137 3.8 37.3 1.0
CB B:ALA112 3.8 21.5 1.0
C B:PRO136 3.9 20.7 1.0
CB B:GLN137 4.0 22.9 1.0
CD B:GLN137 4.2 33.2 1.0
CA B:GLN137 4.2 21.6 1.0
CB B:PRO136 4.3 22.1 1.0
N B:PRO136 4.8 20.2 1.0
CD1 B:PHE138 4.8 32.0 1.0
O B:LYS135 4.9 20.1 1.0
CE1 B:PHE138 4.9 37.0 1.0
O B:HOH309 5.0 27.2 1.0
NE B:ARG164 5.0 33.1 1.0

Chlorine binding site 2 out of 4 in 3qq0

Go back to Chlorine Binding Sites List in 3qq0
Chlorine binding site 2 out of 4 in the Crystal Structure of A Deletion Mutant (N59) 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 Deletion Mutant (N59) 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:Cl280

b:32.2
occ:1.00
 N C:GLN137 3.4 22.6 1.0
NE C:ARG164 3.5 40.2 1.0
NE2 C:GLN137 3.5 30.2 1.0
CG C:GLN137 3.6 25.5 1.0
CB C:ALA112 3.7 24.5 1.0
NH2 C:ARG164 3.9 30.8 1.0
CB C:GLN137 4.0 24.6 1.0
CZ C:ARG164 4.0 37.2 1.0
CA C:PRO136 4.0 22.8 1.0
CD C:GLN137 4.1 28.6 1.0
C C:PRO136 4.2 22.2 1.0
CA C:GLN137 4.3 24.9 1.0
CD C:ARG164 4.4 29.8 1.0
CE1 C:PHE138 4.5 45.1 1.0
N C:PHE113 4.5 25.5 1.0
C C:ALA112 4.5 25.8 1.0
CA C:ALA112 4.7 24.2 1.0
CD1 C:PHE138 4.8 40.9 1.0
CB C:PRO136 4.8 24.1 1.0
CA C:PHE113 4.9 26.1 1.0
O C:LYS135 4.9 19.6 1.0
O C:ALA112 4.9 26.9 1.0
CB C:PHE113 5.0 26.5 1.0

Chlorine binding site 3 out of 4 in 3qq0

Go back to Chlorine Binding Sites List in 3qq0
Chlorine binding site 3 out of 4 in the Crystal Structure of A Deletion Mutant (N59) 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 Deletion Mutant (N59) 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:Cl281

b:30.0
occ:1.00
 O C:HOH427 2.8 28.6 1.0
NZ C:LYS134 3.1 29.3 1.0
NE2 C:GLN109 3.2 23.2 1.0
CE1 C:HIS198 3.4 26.2 1.0
CE C:LYS134 3.5 35.4 1.0
CZ C:PHE233 3.6 32.9 1.0
O C:HOH341 3.6 44.5 1.0
CE1 C:PHE233 3.6 33.9 1.0
CE C:LYS52 3.9 32.5 1.0
ND1 C:HIS198 3.9 23.4 1.0
OE2 C:GLU235 4.0 41.4 1.0
NZ C:LYS52 4.0 34.1 1.0
O C:HOH368 4.1 22.5 1.0
OD2 C:ASP195 4.3 21.6 1.0
CD C:GLN109 4.3 20.5 1.0
NE2 C:HIS198 4.4 26.3 1.0
CD C:LYS52 4.5 30.4 1.0
OE1 C:GLN109 4.7 19.0 1.0
O C:HOH387 4.7 32.0 1.0
CE2 C:PHE233 4.8 28.9 1.0
NZ C:LYS57 4.8 42.6 1.0
CD1 C:PHE233 4.9 28.0 1.0

Chlorine binding site 4 out of 4 in 3qq0

Go back to Chlorine Binding Sites List in 3qq0
Chlorine binding site 4 out of 4 in the Crystal Structure of A Deletion Mutant (N59) 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 A Deletion Mutant (N59) 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:35.3
occ:1.00
 O D:HOH456 3.1 49.4 1.0
NE2 D:GLN109 3.4 33.0 1.0
CZ D:PHE233 3.4 25.9 1.0
CE1 D:PHE233 3.6 27.1 1.0
CE D:LYS134 3.8 38.9 1.0
NZ D:LYS134 3.8 39.9 1.0
NZ D:LYS52 3.8 28.4 1.0
O D:HOH583 4.0 47.0 1.0
CD D:LYS52 4.1 27.5 1.0
CD D:GLN109 4.4 30.9 1.0
CE D:LYS52 4.4 27.8 1.0
CG D:GLU235 4.5 38.7 1.0
OE1 D:GLN109 4.5 28.3 1.0
O D:HOH728 4.5 40.9 1.0
O D:HOH346 4.6 30.6 1.0
CE2 D:PHE233 4.6 23.0 1.0
CG D:LYS52 4.7 25.8 1.0
CD D:GLU235 4.8 42.4 1.0
OE1 D:GLU235 4.8 36.4 1.0
O D:HOH489 4.9 33.7 1.0
CD1 D:PHE233 5.0 23.8 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 03:04:39 2024

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