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Chlorine in PDB 3ru6: 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168

Enzymatic activity of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168

All present enzymatic activity of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168:
4.1.1.23;

Protein crystallography data

The structure of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168, PDB code: 3ru6 was solved by A.S.Halavaty, G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, 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) 29.12 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.598, 108.308, 97.707, 90.00, 95.73, 90.00
R / Rfree (%) 16.8 / 20.3

Other elements in 3ru6:

The structure of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 also contains other interesting chemical elements:

Iodine (I) 26 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 (pdb code 3ru6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168, PDB code: 3ru6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3ru6

Go back to Chlorine Binding Sites List in 3ru6
Chlorine binding site 1 out of 4 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl280

b:39.2
occ:1.00
 O D:HOH352 2.5 22.5 1.0
N A:LYS91 3.2 24.5 1.0
O D:ASN123 3.4 30.0 1.0
CG A:LYS91 3.7 31.9 1.0
CB A:LYS91 3.8 27.8 1.0
CA A:GLY90 3.8 22.8 1.0
CB D:ASN123 3.9 31.6 1.0
CA D:ASN123 3.9 32.4 1.0
O D:HOH333 4.0 38.1 1.0
CB D:SER126 4.0 31.5 0.5
CB D:SER126 4.0 30.6 0.5
C A:GLY90 4.0 23.1 1.0
OG D:SER126 4.1 33.8 0.5
OD1 D:ASN123 4.1 40.0 1.0
C D:ASN123 4.1 30.2 1.0
CA A:LYS91 4.1 25.9 1.0
CG D:ASN123 4.1 35.3 1.0
CG1 D:ILE127 4.2 26.8 1.0
CD1 D:ILE127 4.3 26.9 1.0
CD A:LYS91 4.4 37.3 1.0
CD1 A:ILE142 4.4 31.0 1.0
OG D:SER126 4.5 31.0 0.5
CG2 A:ILE142 4.6 29.9 1.0

Chlorine binding site 2 out of 4 in 3ru6

Go back to Chlorine Binding Sites List in 3ru6
Chlorine binding site 2 out of 4 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl280

b:36.4
occ:1.00
 O B:HOH292 2.7 34.5 1.0
N C:LYS91 3.1 23.4 1.0
O B:ASN123 3.3 30.9 1.0
CB C:LYS91 3.4 26.6 1.0
CB B:ASN123 3.7 31.6 1.0
CA C:GLY90 3.9 21.5 1.0
CA B:ASN123 3.9 32.5 1.0
CB B:SER126 3.9 31.2 1.0
CA C:LYS91 3.9 25.0 1.0
OD1 B:ASN123 4.0 37.3 1.0
C B:ASN123 4.0 30.3 1.0
C C:GLY90 4.0 21.7 1.0
CG B:ASN123 4.1 34.9 1.0
CG1 B:ILE127 4.3 25.4 1.0
OG B:SER126 4.3 35.9 1.0
CD1 B:ILE127 4.4 25.5 1.0
CD1 C:ILE142 4.6 30.2 1.0
CG C:LYS91 4.7 32.1 1.0
CG2 C:ILE142 4.7 28.5 1.0
CD C:LYS91 4.8 34.6 1.0

Chlorine binding site 3 out of 4 in 3ru6

Go back to Chlorine Binding Sites List in 3ru6
Chlorine binding site 3 out of 4 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl281

b:44.7
occ:1.00
 O C:HOH303 2.6 31.0 1.0
OG C:SER126 3.0 38.6 1.0
N B:LYS91 3.1 24.5 1.0
O C:ASN123 3.4 30.2 1.0
CA B:GLY90 3.7 23.4 1.0
CG B:LYS91 3.7 33.1 1.0
C B:GLY90 3.9 23.7 1.0
CB B:LYS91 3.9 27.2 1.0
CB C:ASN123 3.9 31.5 1.0
CA C:ASN123 4.0 32.2 1.0
CA B:LYS91 4.1 25.8 1.0
C C:ASN123 4.1 29.7 1.0
CD1 C:ILE127 4.1 28.8 1.0
OD1 C:ASN123 4.1 36.5 1.0
CG1 C:ILE127 4.2 26.1 1.0
CB C:SER126 4.2 32.0 1.0
CG C:ASN123 4.2 34.0 1.0
CD1 B:ILE142 4.4 33.2 1.0
CD B:LYS91 4.5 38.9 1.0
NZ B:LYS91 4.6 50.6 1.0
CG2 B:ILE142 4.6 28.6 1.0
N B:GLY90 5.0 22.1 1.0

Chlorine binding site 4 out of 4 in 3ru6

Go back to Chlorine Binding Sites List in 3ru6
Chlorine binding site 4 out of 4 in the 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl280

b:36.0
occ:0.50
 NH2 D:ARG196 1.1 59.7 0.5
CZ D:ARG196 1.4 56.6 0.5
NH1 D:ARG196 1.8 53.1 0.5
NH1 D:ARG196 2.3 51.2 0.5
NE D:ARG196 2.5 57.0 0.5
NZ D:LYS225 2.6 69.8 1.0
CZ D:ARG196 3.2 52.3 0.5
CA D:ALA193 3.4 51.8 1.0
CD D:ARG196 3.6 56.2 0.5
CD D:ARG196 3.7 56.4 0.5
N D:ALA193 3.8 49.1 1.0
CB D:ALA193 3.8 54.3 1.0
NE D:ARG196 3.8 55.4 0.5
CE D:LYS225 3.9 69.1 1.0
O D:LEU192 4.0 47.8 0.5
C D:LEU192 4.0 47.5 0.5
NH2 D:ARG196 4.0 50.2 0.5
C D:LEU192 4.0 47.3 0.5
O D:LEU192 4.1 47.5 0.5
CG D:ARG196 4.1 51.8 0.5
CD D:LYS225 4.3 67.3 1.0
CB D:ARG196 4.4 51.8 0.5
O D:HOH337 4.4 16.7 1.0
CB D:ARG196 4.6 52.5 0.5
CB D:LEU192 4.6 46.3 0.5
C D:ALA193 4.7 50.9 1.0
CG D:ARG196 4.7 54.7 0.5
CG D:LEU192 4.8 47.6 0.5
CB D:LEU192 4.8 46.4 0.5
O D:ALA193 4.9 51.3 1.0

Reference:

A.S.Halavaty, G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.8 Angstrom Resolution Crystal Structure of Orotidine 5'-Phosphate Decarboxylase (Pyrf) From Campylobacter Jejuni Subsp. Jejuni Nctc 11168 To Be Published.
Page generated: Sat Dec 12 10:08:02 2020

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