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Chlorine in PDB 3okf: 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae

Enzymatic activity of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae

All present enzymatic activity of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae:
4.2.3.4;

Protein crystallography data

The structure of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae, PDB code: 3okf was solved by G.Minasov, S.H.Light, L.Shuvalova, L.Papazisi, W.F.Anderson, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.62 / 2.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.140, 80.140, 262.965, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.3

Other elements in 3okf:

The structure of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae (pdb code 3okf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae, PDB code: 3okf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3okf

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Chlorine binding site 1 out of 7 in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl371

b:73.1
occ:1.00
 N A:ALA291 3.2 59.5 1.0
CB A:ALA291 3.5 59.0 1.0
NE2 A:GLN284 3.6 69.6 1.0
CA A:ALA291 3.9 58.9 1.0
CB A:ASP290 4.0 63.3 1.0
CA A:ASP290 4.0 61.0 1.0
C A:ASP290 4.1 59.9 1.0
O A:HOH426 4.5 53.8 1.0
CD A:GLN284 4.8 70.7 1.0

Chlorine binding site 2 out of 7 in 3okf

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Chlorine binding site 2 out of 7 in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl372

b:90.2
occ:1.00
 ND1 A:HIS255 3.2 56.9 0.5
O A:HOH418 3.2 67.8 1.0
NZ A:LYS327 3.4 80.8 1.0
CE A:LYS327 3.7 78.7 1.0
CE1 A:HIS255 3.8 56.8 0.5
CG A:HIS255 3.9 57.3 0.5
O A:HIS251 4.0 59.9 1.0
CA A:THR252 4.2 61.3 1.0
CB A:HIS255 4.3 55.8 0.5
CB A:HIS255 4.3 55.5 0.5
C A:HIS251 4.3 59.9 1.0
N A:THR252 4.4 61.0 1.0
NE2 A:HIS255 4.7 57.9 0.5
OG1 A:THR252 4.8 64.8 1.0
CD2 A:HIS255 4.8 58.3 0.5
CG A:HIS255 4.8 57.4 0.5
CD A:LYS327 4.9 76.4 1.0
CB A:HIS251 4.9 62.0 1.0
ND1 A:HIS255 4.9 58.1 0.5

Chlorine binding site 3 out of 7 in 3okf

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Chlorine binding site 3 out of 7 in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl373

b:79.5
occ:1.00
 N A:LEU70 3.5 34.8 1.0
CA A:ALA69 4.1 34.8 1.0
O A:LEU70 4.3 35.3 1.0
C A:ALA69 4.3 34.3 1.0
CB A:LEU70 4.4 34.3 1.0
CA A:LEU70 4.4 34.5 1.0
CB A:ALA69 4.6 33.4 1.0
C A:LEU70 4.9 34.0 1.0

Chlorine binding site 4 out of 7 in 3okf

Go back to Chlorine Binding Sites List in 3okf
Chlorine binding site 4 out of 7 in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl374

b:70.2
occ:1.00
 O A:HOH384 3.5 47.2 1.0
N A:ALA179 3.7 40.5 1.0
CA A:PRO178 4.0 40.4 1.0
CB A:PRO178 4.3 40.9 1.0
C A:PRO178 4.4 40.3 1.0
CB A:ALA179 4.4 40.6 1.0
CA A:ALA179 4.7 40.6 1.0

Chlorine binding site 5 out of 7 in 3okf

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Chlorine binding site 5 out of 7 in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl369

b:77.6
occ:1.00
 N B:GLN78 3.5 44.4 1.0
O B:HOH413 3.5 39.1 1.0
N B:GLU77 3.6 44.2 1.0
CG B:GLN78 3.8 53.2 1.0
CB B:GLN78 3.9 48.2 1.0
C B:GLY76 4.2 44.9 1.0
CD B:GLN78 4.2 60.6 1.0
CA B:GLN78 4.2 46.3 1.0
CB B:GLU77 4.3 42.7 1.0
CA B:GLY76 4.3 46.0 1.0
CA B:GLU77 4.3 42.9 1.0
C B:GLU77 4.3 43.1 1.0
OE1 B:GLN78 4.5 65.0 1.0
NE2 B:GLN78 4.9 65.3 1.0

Chlorine binding site 6 out of 7 in 3okf

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Chlorine binding site 6 out of 7 in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl370

b:66.5
occ:1.00
 N B:GLU312 3.8 51.5 1.0
CA B:PRO311 3.9 46.0 1.0
O B:HOH436 4.0 51.9 1.0
CB B:PRO311 4.4 46.5 1.0
C B:PRO311 4.4 48.1 1.0
CZ2 B:TRP266 4.5 48.6 1.0
CG B:GLU312 4.6 63.3 1.0
CB B:GLU312 4.7 57.5 1.0
CA B:GLU312 4.9 54.9 1.0
N B:PRO311 5.0 44.1 1.0

Chlorine binding site 7 out of 7 in 3okf

Go back to Chlorine Binding Sites List in 3okf
Chlorine binding site 7 out of 7 in the 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl371

b:73.2
occ:1.00
 O B:HOH448 2.8 65.1 1.0
N B:LEU70 4.2 57.0 1.0
CA B:ALA69 4.4 61.0 1.0
C B:ALA69 4.8 58.0 1.0
CB B:ALA69 4.9 59.5 1.0
CB B:LEU70 4.9 56.8 1.0

Reference:

G.Minasov, S.H.Light, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (Arob) From Vibrio Cholerae. To Be Published.
Page generated: Sat Dec 12 10:00:04 2020

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