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Chlorine in PDB 6ufi: W96Y Oxalate Decarboxylase (Bacillus Subtilis)

Protein crystallography data

The structure of W96Y Oxalate Decarboxylase (Bacillus Subtilis), PDB code: 6ufi was solved by A.J.Pastore, M.J.Burg, U.T.Twahir, S.D.Bruner, A.Angerhofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.45 / 1.72
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 155.270, 155.270, 124.088, 90.00, 90.00, 120.00
R / Rfree (%) 14.9 / 16.6

Other elements in 6ufi:

The structure of W96Y Oxalate Decarboxylase (Bacillus Subtilis) also contains other interesting chemical elements:

Manganese (Mn) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the W96Y Oxalate Decarboxylase (Bacillus Subtilis) (pdb code 6ufi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the W96Y Oxalate Decarboxylase (Bacillus Subtilis), PDB code: 6ufi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6ufi

Go back to Chlorine Binding Sites List in 6ufi
Chlorine binding site 1 out of 2 in the W96Y Oxalate Decarboxylase (Bacillus Subtilis)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of W96Y Oxalate Decarboxylase (Bacillus Subtilis) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:51.4
occ:1.00
O A:HOH581 2.8 24.3 1.0
NZ A:LYS373 3.1 24.9 1.0
CE A:LYS373 3.6 17.8 1.0
O A:HOH665 3.8 28.1 1.0
O A:HOH623 4.6 24.2 1.0
O A:ALA350 4.9 13.4 1.0

Chlorine binding site 2 out of 2 in 6ufi

Go back to Chlorine Binding Sites List in 6ufi
Chlorine binding site 2 out of 2 in the W96Y Oxalate Decarboxylase (Bacillus Subtilis)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of W96Y Oxalate Decarboxylase (Bacillus Subtilis) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:32.1
occ:1.00
N A:GLU178 3.2 10.3 1.0
CG A:GLU178 3.3 20.8 0.3
O A:HOH694 3.3 19.4 1.0
CD A:GLU178 3.4 30.7 0.3
CG A:GLU178 3.4 13.6 0.7
N A:LYS177 3.5 11.3 1.0
CB A:GLU178 3.6 15.4 0.3
CB A:GLU178 3.7 15.3 0.7
OE1 A:GLU178 3.7 26.4 0.3
CD A:GLU178 3.7 28.2 0.7
OE2 A:GLU178 3.9 25.8 0.3
CB A:LYS177 4.0 14.5 0.3
CB A:LYS177 4.0 14.4 0.7
CA A:GLU178 4.0 12.8 0.3
CA A:LYS177 4.0 12.1 0.3
CA A:GLU178 4.0 12.7 0.7
CA A:LYS177 4.0 12.0 0.7
C A:LYS177 4.0 11.2 1.0
OE2 A:GLU178 4.1 28.5 0.7
C A:PRO176 4.1 12.1 1.0
CB A:PRO176 4.2 14.4 1.0
OE1 A:GLU178 4.2 17.9 0.7
CA A:PRO176 4.4 10.6 1.0
CD A:LYS188 4.5 30.8 1.0
NZ A:LYS188 4.6 42.9 1.0
CG A:LYS177 4.8 14.2 0.3
O A:PRO176 5.0 12.3 1.0

Reference:

A.J.Pastore, M.J.Burg, U.T.Twahir, S.D.Bruner, A.Angerhofer. The Electronic Structure of Quaternarily Pi-Stacked Residues Influences Decarboxylase Activity in Oxalate Decarboxylase of Bacillus Subtilis. To Be Published.
Page generated: Mon Jul 29 15:53:04 2024

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