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Chlorine in PDB 3gc2: 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid

Enzymatic activity of 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid

All present enzymatic activity of 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid:
4.2.1.113;

Protein crystallography data

The structure of 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid, PDB code: 3gc2 was solved by G.Minasov, Z.Wawrzak, T.Skarina, O.Onopriyenko, S.N.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.07 / 1.85
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 149.968, 149.968, 39.120, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 18.5

Other elements in 3gc2:

The structure of 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid (pdb code 3gc2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid, PDB code: 3gc2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3gc2

Go back to Chlorine Binding Sites List in 3gc2
Chlorine binding site 1 out of 3 in the 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl323

b:45.5
occ:1.00
 NH1 A:ARG8 2.9 20.7 0.3
NE2 A:GLN60 3.1 21.1 1.0
NH2 A:ARG8 3.4 14.8 0.7
O A:HOH444 3.4 40.3 1.0
CZ A:ARG8 4.2 19.5 0.3
CD A:GLN60 4.3 20.4 1.0
CZ A:ARG8 4.3 17.3 0.7
NH1 A:ARG8 4.4 17.5 0.7
OE1 A:GLN60 4.6 22.9 1.0
NH2 A:ARG8 4.8 20.3 0.3

Chlorine binding site 2 out of 3 in 3gc2

Go back to Chlorine Binding Sites List in 3gc2
Chlorine binding site 2 out of 3 in the 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl324

b:55.5
occ:0.70
 CL A:CL324 0.0 55.5 0.7
CL A:CL324 2.2 44.0 0.3
O A:HOH438 3.0 30.2 1.0
NE A:ARG313 3.2 35.8 1.0
N A:ARG313 3.2 26.4 1.0
NH2 A:ARG313 3.6 37.6 1.0
CA A:LYS312 3.7 26.8 1.0
O A:HOH525 3.8 48.9 1.0
CB A:LYS312 3.8 27.4 1.0
CZ A:ARG313 3.9 37.6 1.0
CB A:ARG313 4.0 27.2 1.0
C A:LYS312 4.0 26.0 1.0
CG A:ARG313 4.0 29.2 1.0
CD A:ARG313 4.2 31.2 1.0
CA A:ARG313 4.2 26.7 1.0
CG A:LYS312 4.3 30.1 1.0
CG2 A:ILE300 4.3 29.0 1.0
CA A:ILE300 4.4 26.0 1.0
OE1 A:GLU314 4.4 36.9 1.0
CG1 A:ILE300 4.4 30.6 1.0
O A:ILE300 4.5 25.8 1.0
CE A:LYS312 4.6 36.0 1.0
CB A:ILE300 4.6 27.9 1.0
C A:ILE300 5.0 25.8 1.0

Chlorine binding site 3 out of 3 in 3gc2

Go back to Chlorine Binding Sites List in 3gc2
Chlorine binding site 3 out of 3 in the 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl324

b:44.0
occ:0.30
 CL A:CL324 0.0 44.0 0.3
CL A:CL324 2.2 55.5 0.7
O A:ILE300 3.1 25.8 1.0
CA A:ILE300 3.6 26.0 1.0
C A:ILE300 3.8 25.8 1.0
CA A:LYS312 3.8 26.8 1.0
O A:HOH525 3.9 48.9 1.0
CG A:LYS312 3.9 30.1 1.0
CB A:LYS312 4.1 27.4 1.0
O A:LEU311 4.3 26.7 1.0
N A:ILE300 4.4 24.1 1.0
O A:HOH578 4.4 41.6 1.0
O A:HOH438 4.4 30.2 1.0
CG2 A:ILE300 4.5 29.0 1.0
N A:ARG313 4.5 26.4 1.0
CB A:ILE300 4.5 27.9 1.0
C A:LYS312 4.7 26.0 1.0
N A:LYS312 4.7 25.8 1.0
C A:LEU311 4.9 25.7 1.0
CG1 A:ILE300 4.9 30.6 1.0
CE A:LYS312 4.9 36.0 1.0
CD A:LYS312 4.9 34.8 1.0

Reference:

G.Minasov, Z.Wawrzak, T.Skarina, O.Onopriyenko, S.N.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.85 Angstrom Crystal Structure of O-Succinylbenzoate Synthase From Salmonella Typhimurium in Complex with Succinic Acid To Be Published.
Page generated: Sat Dec 12 09:44:00 2020

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