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Chlorine in PDB 3stg: Crystal Structure of A58P, Del(N59), and Loop 7 Truncated Mutant of 3- Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of A58P, Del(N59), and Loop 7 Truncated Mutant of 3- Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 A58P, Del(N59), and Loop 7 Truncated Mutant of 3- Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3stg 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) 35.99 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.690, 104.050, 149.620, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 23.8

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated Mutant of 3- Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis (pdb code 3stg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated Mutant of 3- Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase (KDO8PS) From Neisseria Meningitidis, PDB code: 3stg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 1 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 A58P, Del(N59), and Loop 7 Truncated 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:Cl269

b:22.2
occ:1.00
 N A:GLN137 3.2 13.6 1.0
CG A:GLN137 3.5 15.2 1.0
CB A:ALA112 3.6 17.1 1.0
CA A:PRO136 3.8 13.1 1.0
NE2 A:GLN137 3.8 15.8 1.0
NE A:ARG164 3.8 26.5 1.0
CB A:GLN137 3.9 14.5 1.0
C A:PRO136 4.0 13.3 1.0
CA A:GLN137 4.2 14.1 1.0
CZ A:ARG164 4.2 27.6 1.0
CD A:GLN137 4.2 15.7 1.0
NH2 A:ARG164 4.2 27.3 1.0
CB A:PRO136 4.3 13.3 1.0
CD A:ARG164 4.5 22.4 1.0
CE1 A:PHE138 4.7 16.4 1.0
CD1 A:PHE138 4.8 16.2 1.0
CA A:ALA112 4.9 17.2 1.0
C A:ALA112 4.9 18.4 1.0
N A:PRO136 5.0 12.8 1.0
O A:LYS135 5.0 12.4 1.0

Chlorine binding site 2 out of 12 in 3stg

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Chlorine binding site 2 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 A58P, Del(N59), and Loop 7 Truncated 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:Cl270

b:27.2
occ:1.00
 NZ A:LYS134 3.1 14.9 1.0
O A:HOH468 3.2 41.5 1.0
NE2 A:GLN109 3.3 14.7 1.0
CE1 A:HIS198 3.5 18.8 1.0
CE A:LYS134 3.5 14.3 1.0
CZ A:PHE222 3.7 14.8 1.0
CE A:LYS52 3.8 14.6 1.0
CE2 A:PHE222 3.8 14.8 1.0
ND1 A:HIS198 3.9 18.7 1.0
NZ A:LYS52 4.1 14.8 1.0
OE2 A:GLU224 4.1 21.8 1.0
O A:HOH304 4.2 23.2 1.0
CD A:GLN109 4.4 15.1 1.0
NE2 A:HIS198 4.5 18.8 1.0
OE1 A:GLN109 4.6 15.6 1.0
OD2 A:ASP195 4.6 12.5 1.0
CD A:LYS52 4.8 14.3 1.0
CE1 A:PHE222 4.9 14.7 1.0
CD A:LYS134 5.0 14.0 1.0

Chlorine binding site 3 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 3 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 A58P, Del(N59), and Loop 7 Truncated 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:Cl271

b:33.4
occ:1.00
 O A:HOH349 3.1 33.3 1.0
N A:ARG59 3.1 26.3 1.0
CB A:ARG59 3.4 30.8 1.0
N A:PRO58 3.4 24.6 1.0
NE A:ARG59 3.5 37.3 1.0
CD A:PRO58 3.5 24.2 1.0
C A:LYS57 3.5 25.1 1.0
CE A:LYS57 3.6 28.2 1.0
CA A:LYS57 3.6 25.3 1.0
CA A:ARG59 3.7 29.0 1.0
NH1 A:ARG59 3.7 38.0 1.0
CB A:LYS57 3.8 26.4 1.0
O A:LYS57 4.1 24.7 1.0
CZ A:ARG59 4.1 38.2 1.0
CG A:ARG59 4.1 32.9 1.0
C A:PRO58 4.1 25.6 1.0
N A:SER60 4.2 29.1 1.0
CG A:PRO58 4.2 24.1 1.0
C A:ARG59 4.2 29.2 1.0
CA A:PRO58 4.3 25.1 1.0
CD A:LYS57 4.3 27.8 1.0
NZ A:LYS57 4.3 27.6 1.0
O A:HOH363 4.4 28.1 1.0
CD A:ARG59 4.4 35.0 1.0
CG A:LYS57 4.6 27.5 1.0
OG A:SER60 4.6 30.9 1.0
CB A:PRO58 4.9 24.5 1.0
CZ A:PHE113 4.9 20.9 1.0
CE2 A:PHE113 5.0 20.8 1.0

Chlorine binding site 4 out of 12 in 3stg

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Chlorine binding site 4 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 A58P, Del(N59), and Loop 7 Truncated 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:Cl269

b:28.7
occ:1.00
 N B:GLY201 2.8 22.6 1.0
O B:HOH343 3.1 32.9 1.0
O B:HOH428 3.1 19.7 1.0
CA B:GLY201 3.5 25.2 1.0
N B:ARG202 3.5 29.9 1.0
C B:LEU200 3.8 21.1 1.0
C B:GLY201 3.9 27.5 1.0
CA B:LEU200 3.9 19.4 1.0
CD2 B:LEU200 4.1 20.4 1.0
CB B:LEU200 4.3 19.6 1.0
CD1 A:LEU178 4.5 12.9 1.0
CG B:ARG202 4.5 36.6 1.0
O B:ARG202 4.6 31.6 1.0
CA B:ARG202 4.6 31.5 1.0
O B:HOH601 4.6 27.4 1.0
CB B:ARG202 4.7 34.1 1.0
NE B:ARG202 4.8 41.9 1.0
O B:GLY201 4.9 27.9 1.0
CG B:LEU200 4.9 19.8 1.0
O B:HOH311 4.9 16.3 1.0
O B:LEU200 5.0 20.7 1.0

Chlorine binding site 5 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 5 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 A58P, Del(N59), and Loop 7 Truncated 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:Cl270

b:22.1
occ:1.00
 NZ B:LYS134 2.9 22.1 1.0
O B:HOH600 3.0 30.1 1.0
NE2 B:GLN109 3.2 20.8 1.0
CE1 B:HIS198 3.5 16.0 1.0
CZ B:PHE222 3.5 14.7 1.0
NZ B:LYS52 3.7 17.2 1.0
CE B:LYS52 3.8 17.2 1.0
CE2 B:PHE222 3.8 14.5 1.0
OE1 B:GLU224 4.0 18.0 1.0
ND1 B:HIS198 4.0 15.6 1.0
O B:HOH570 4.0 16.5 1.0
CD B:GLN109 4.3 20.8 1.0
CE B:LYS134 4.4 21.7 1.0
NE2 B:HIS198 4.5 15.7 1.0
OD2 B:ASP195 4.6 12.1 1.0
OE1 B:GLN109 4.7 20.4 1.0
CE1 B:PHE222 4.7 14.7 1.0
O B:HOH288 4.8 14.1 1.0
CD B:LYS52 4.8 16.9 1.0
OG B:SER54 4.9 22.0 1.0
CD B:LYS134 5.0 21.4 1.0
O B:HOH274 5.0 11.1 1.0

Chlorine binding site 6 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 6 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 A58P, Del(N59), and Loop 7 Truncated 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:Cl271

b:31.4
occ:1.00
 NE B:ARG59 3.0 42.0 1.0
N B:ARG59 3.2 37.1 1.0
CG B:LYS57 3.4 36.0 1.0
CB B:ARG59 3.4 39.0 1.0
C B:LYS57 3.5 36.0 1.0
CD B:PRO58 3.5 36.5 1.0
NH2 B:ARG59 3.6 43.4 1.0
N B:PRO58 3.6 36.7 1.0
CZ B:ARG59 3.7 43.1 1.0
CA B:LYS57 3.7 34.7 1.0
CG B:ARG59 3.8 40.7 1.0
CA B:ARG59 3.8 38.5 1.0
CD B:LYS57 3.8 35.0 1.0
NZ B:LYS57 3.9 34.6 1.0
CB B:LYS57 3.9 35.9 1.0
CD B:ARG59 4.0 42.1 1.0
O B:LYS57 4.0 36.8 1.0
CG B:PRO58 4.2 37.3 1.0
C B:PRO58 4.3 36.8 1.0
CE B:LYS57 4.5 35.2 1.0
CA B:PRO58 4.5 37.5 1.0
CE2 B:PHE113 4.5 25.2 0.5
N B:SER60 4.5 37.5 1.0
C B:ARG59 4.5 38.6 1.0
O B:HOH348 4.6 30.1 1.0
CZ B:PHE113 4.7 25.9 0.5
NH1 B:ARG59 4.9 43.4 1.0

Chlorine binding site 7 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 7 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 7 of Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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:Cl272

b:30.0
occ:1.00
 N B:GLN137 3.2 15.6 1.0
CG B:GLN137 3.5 16.2 1.0
CB B:ALA112 3.6 21.1 1.0
NH1 B:ARG164 3.7 20.5 1.0
CA B:PRO136 3.8 16.2 1.0
NE2 B:GLN137 3.8 16.8 1.0
CB B:GLN137 3.9 15.8 1.0
C B:PRO136 4.0 15.9 1.0
CA B:GLN137 4.1 15.4 1.0
CD B:GLN137 4.2 16.7 1.0
CE2 B:PHE113 4.2 26.3 0.5
CB B:PRO136 4.3 16.6 1.0
CD B:ARG164 4.3 17.5 1.0
CZ B:ARG164 4.4 19.7 1.0
CD2 B:PHE113 4.4 26.5 0.5
NE B:ARG164 4.6 18.7 1.0
C B:ALA112 4.8 22.9 1.0
CA B:ALA112 4.8 22.1 1.0
CE2 B:PHE138 4.9 17.9 1.0
CZ B:PHE113 4.9 26.0 0.5
CD2 B:PHE138 5.0 17.4 1.0

Chlorine binding site 8 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 8 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 8 of Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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:Cl269

b:24.0
occ:1.00
 N C:GLN137 3.1 15.7 1.0
O A:HOH334 3.4 33.9 1.0
CG C:GLN137 3.6 16.3 1.0
CB C:ALA112 3.7 16.6 1.0
CA C:PRO136 3.7 15.8 1.0
NE C:ARG164 3.7 30.5 1.0
CB C:GLN137 3.8 16.0 1.0
NE2 C:GLN137 3.9 16.6 1.0
C C:PRO136 3.9 15.8 1.0
CA C:GLN137 4.1 15.7 1.0
CZ C:ARG164 4.2 33.1 1.0
CB C:PRO136 4.3 15.9 1.0
NH2 C:ARG164 4.3 35.2 1.0
CD C:GLN137 4.3 16.7 1.0
CD C:ARG164 4.3 25.9 1.0
CE1 C:PHE138 4.6 17.6 1.0
CD1 C:PHE138 4.7 17.3 1.0
C C:ALA112 4.8 17.8 1.0
CA C:ALA112 4.9 17.1 1.0
O C:LYS135 4.9 15.6 1.0
N C:PRO136 5.0 15.5 1.0

Chlorine binding site 9 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 9 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 9 of Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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:Cl270

b:35.9
occ:1.00
 NE C:ARG59 3.2 38.3 1.0
N C:ARG59 3.3 29.6 1.0
CB C:ARG59 3.5 32.6 1.0
NH1 C:ARG59 3.5 40.4 1.0
CD C:PRO58 3.6 31.0 1.0
C C:LYS57 3.7 33.2 1.0
N C:PRO58 3.7 31.8 1.0
CA C:LYS57 3.8 33.7 1.0
CZ C:ARG59 3.8 38.9 1.0
CA C:ARG59 3.9 31.5 1.0
CB C:LYS57 4.0 35.4 1.0
CG C:ARG59 4.0 35.1 1.0
CE C:LYS57 4.0 37.7 1.0
CD C:LYS57 4.0 37.1 1.0
O C:LYS57 4.2 33.8 1.0
CD C:ARG59 4.2 36.2 1.0
CG C:PRO58 4.3 30.8 1.0
C C:PRO58 4.3 29.9 1.0
N C:SER60 4.4 32.7 1.0
C C:ARG59 4.5 31.1 1.0
CA C:PRO58 4.5 31.1 1.0
CZ C:PHE113 4.6 29.0 1.0
CG C:LYS57 4.6 36.8 1.0
NZ C:LYS57 4.6 38.4 1.0
CE2 C:PHE113 4.8 29.7 1.0

Chlorine binding site 10 out of 12 in 3stg

Go back to Chlorine Binding Sites List in 3stg
Chlorine binding site 10 out of 12 in the Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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 10 of Crystal Structure of A58P, Del(N59), and Loop 7 Truncated 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:Cl269

b:24.8
occ:1.00
 N D:GLN137 3.2 16.4 1.0
CE1 D:PHE113 3.2 38.2 1.0
NE2 D:GLN137 3.3 18.5 1.0
O D:HOH486 3.4 35.9 1.0
NE D:ARG164 3.4 31.1 1.0
CG D:GLN137 3.6 17.8 1.0
CB D:ALA112 3.7 17.9 1.0
CD1 D:PHE113 3.7 35.8 1.0
CA D:PRO136 3.8 15.8 1.0
CB D:GLN137 3.9 17.3 1.0
CD D:GLN137 4.0 18.5 1.0
C D:PRO136 4.0 15.9 1.0
CZ D:ARG164 4.1 33.8 1.0
CD D:ARG164 4.1 26.2 1.0
NH2 D:ARG164 4.1 35.7 1.0
CA D:GLN137 4.1 17.0 1.0
CZ D:PHE113 4.3 38.2 1.0
CB D:PRO136 4.4 15.9 1.0
O D:LYS135 4.9 14.8 1.0
CA D:ALA112 5.0 18.1 1.0
N D:PRO136 5.0 15.5 1.0
CD1 D:PHE138 5.0 19.8 1.0
CE1 D:PHE138 5.0 20.0 1.0

Reference:

T.M.Allison, R.D.Hutton, W.Jiao, B.J.Gloyne, E.B.Nimmo, G.B.Jameson, E.J.Parker. An Extended (Beta)7(Alpha)7 Substrate-Binding Loop Is Essential For Efficient Catalysis By 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase Biochemistry V. 50 9318 2011.
ISSN: ISSN 0006-2960
PubMed: 21942786
DOI: 10.1021/BI201231E
Page generated: Sun Jul 21 04:48:12 2024

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