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Chlorine in PDB 6e5y: 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp.

Enzymatic activity of 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp.

All present enzymatic activity of 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp.:
6.3.4.5;

Protein crystallography data

The structure of 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp., PDB code: 6e5y was solved by G.Minasov, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.59 / 1.50
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 97.287, 97.287, 93.200, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 17.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp. (pdb code 6e5y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp., PDB code: 6e5y:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6e5y

Go back to Chlorine Binding Sites List in 6e5y
Chlorine binding site 1 out of 4 in the 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:35.0
occ:1.00
 O A:HOH1009 2.8 29.5 0.5
O A:HOH1045 2.9 39.8 1.0
N A:ALA378 3.2 19.1 1.0
CA A:SER377 3.7 17.0 1.0
CB A:ALA378 3.8 23.5 1.0
C A:SER377 3.9 19.1 1.0
NH1 A:ARG240 4.0 23.4 0.5
O A:THR357 4.0 20.3 1.0
CG2 A:THR357 4.0 19.4 1.0
CA A:GLY358 4.1 17.6 1.0
CA A:ALA378 4.1 20.4 1.0
C A:THR357 4.3 17.9 1.0
N A:GLY358 4.3 16.4 1.0
NH2 A:ARG240 4.3 24.8 0.5
OG A:SER377 4.5 17.8 1.0
CB A:SER377 4.6 17.4 1.0
O A:HOH1049 4.6 34.9 0.4
CZ A:ARG240 4.6 23.3 0.5
O A:HOH789 4.6 51.1 1.0
N A:SER377 4.6 17.9 1.0
CB A:THR357 4.9 18.0 1.0
O A:GLU376 4.9 19.2 1.0

Chlorine binding site 2 out of 4 in 6e5y

Go back to Chlorine Binding Sites List in 6e5y
Chlorine binding site 2 out of 4 in the 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:32.8
occ:1.00
 O A:HOH829 2.8 23.2 1.0
O A:HOH809 3.0 35.1 1.0
ND2 A:ASN196 3.0 16.7 1.0
O A:HOH932 3.2 20.6 0.4
CA A:GLY106 3.6 15.8 1.0
NH1 A:ARG107 3.8 29.1 1.0
OD2 A:ASP194 3.9 40.0 0.6
CB A:ASN196 3.9 17.4 1.0
CG A:ASN196 3.9 17.4 1.0
C A:GLY106 4.0 16.9 1.0
CD1 A:LEU45 4.1 22.3 1.0
O A:SER195 4.1 21.5 1.0
CZ A:ARG107 4.3 27.7 1.0
O A:GLY106 4.4 17.3 1.0
N A:ARG107 4.4 16.8 1.0
CD A:ARG107 4.5 22.1 1.0
O A:THR103 4.5 16.5 1.0
N A:GLY106 4.6 15.5 1.0
OD1 A:ASP194 4.6 40.2 0.6
CG A:ASP194 4.7 30.8 0.6
NE A:ARG107 4.7 22.6 1.0
C A:SER195 4.7 20.3 1.0
OG1 A:THR110 4.8 21.0 0.5
O A:THR102 4.9 15.6 1.0
CA A:THR103 4.9 16.9 1.0
O A:HOH868 4.9 23.1 0.4

Chlorine binding site 3 out of 4 in 6e5y

Go back to Chlorine Binding Sites List in 6e5y
Chlorine binding site 3 out of 4 in the 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:57.6
occ:0.50
 O A:HOH1001 2.1 38.6 0.5
OG1 A:THR131 2.6 34.8 0.5
NH1 A:ARG282 3.5 46.1 1.0
OG1 A:THR131 3.6 28.0 0.5
CB A:THR131 3.7 30.6 0.5
O A:HOH952 3.8 30.1 0.5
CG2 A:THR131 3.9 31.3 0.5
CA A:GLY134 3.9 24.6 1.0
NH2 A:ARG282 3.9 55.0 1.0
CG A:LYS133 3.9 47.0 1.0
N A:GLY134 4.1 25.4 1.0
CZ A:ARG282 4.1 50.0 1.0
CD A:LYS133 4.2 56.5 1.0
C A:LYS133 4.5 28.5 1.0
CB A:THR131 4.7 28.0 0.5
CG2 A:THR131 4.7 28.8 0.5
O A:HOH842 4.8 31.8 1.0
O A:LYS133 4.9 28.9 1.0
O A:HOH1041 4.9 52.2 1.0
O A:HOH952 4.9 25.9 0.5

Chlorine binding site 4 out of 4 in 6e5y

Go back to Chlorine Binding Sites List in 6e5y
Chlorine binding site 4 out of 4 in the 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:55.7
occ:0.90
 O A:HOH742 3.1 24.7 1.0
O A:HOH912 3.4 26.9 1.0
NE A:ARG329 3.7 22.7 1.0
O A:ASN281 3.8 18.8 1.0
CG A:ARG329 4.0 17.6 1.0
NE2 A:GLN333 4.2 27.5 1.0
O A:HOH858 4.2 30.9 1.0
O A:ARG282 4.2 19.3 1.0
CD2 A:TYR332 4.3 17.3 1.0
CD A:ARG329 4.3 19.4 1.0
NH2 A:ARG329 4.5 23.7 1.0
CZ A:ARG329 4.5 21.8 1.0
C A:ARG282 4.5 18.9 1.0
CE2 A:TYR332 4.5 18.5 1.0
CG A:GLN333 4.6 20.6 1.0
C A:ASN281 4.6 16.6 1.0
CA A:ILE283 4.7 18.7 1.0
N A:ILE283 4.8 17.9 1.0
CD A:GLN333 4.8 23.3 1.0
CB A:ASN281 4.8 15.8 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase From Bordetella Pertussis in Complex with Amp. To Be Published.
Page generated: Sat Jul 27 22:07:56 2024

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