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Chlorine in PDB 4bk3: Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant

Enzymatic activity of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant

All present enzymatic activity of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant:
1.14.13.1; 1.14.13.24;

Protein crystallography data

The structure of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant, PDB code: 4bk3 was solved by R.Orru, S.Montersino, A.Barendregt, A.H.Westphal, E.Van Duijn, A.Mattevi, W.J.H.Van Berkel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 85.29 / 1.78
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 106.410, 106.410, 142.620, 90.00, 90.00, 90.00
R / Rfree (%) 15.89 / 20.498

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant (pdb code 4bk3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant, PDB code: 4bk3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4bk3

Go back to Chlorine Binding Sites List in 4bk3
Chlorine binding site 1 out of 2 in the Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1398

b:25.4
occ:1.00
 CL A:CL1399 2.9 27.6 1.0
N A:GLY306 3.0 10.2 1.0
O A:HOH2221 3.2 21.6 1.0
CA A:GLN301 3.3 15.2 1.0
N10 A:FAD500 3.3 11.4 1.0
CB A:GLN301 3.4 18.0 1.0
C10 A:FAD500 3.4 9.7 1.0
C1' A:FAD500 3.4 10.5 1.0
N A:SER305 3.5 11.3 1.0
N1 A:FAD500 3.6 9.2 1.0
CG A:PRO299 3.6 11.9 1.0
CA A:GLY306 3.6 10.0 1.0
C9A A:FAD500 4.0 12.6 1.0
C A:SER305 4.0 10.5 1.0
CA A:ALA304 4.0 12.4 1.0
C A:GLN301 4.1 14.4 1.0
O A:LEU300 4.1 18.9 1.0
C A:ALA304 4.1 11.9 1.0
C4X A:FAD500 4.2 11.2 1.0
O A:GLN301 4.2 14.2 1.0
N A:GLN301 4.2 14.8 1.0
N A:ALA304 4.3 11.6 1.0
CA A:SER305 4.3 11.0 1.0
C2 A:FAD500 4.4 8.6 1.0
C A:LEU300 4.4 15.1 1.0
CB A:PRO299 4.6 11.9 1.0
C9 A:FAD500 4.6 14.8 1.0
C5X A:FAD500 4.6 13.0 1.0
N5 A:FAD500 4.7 12.3 1.0
CD A:PRO299 4.8 12.0 1.0
CG A:GLN301 4.8 21.3 1.0
C4 A:FAD500 4.8 9.9 1.0
C2' A:FAD500 4.9 11.3 1.0
C A:GLY306 4.9 9.8 1.0
N3 A:FAD500 4.9 10.1 1.0
O A:PRO299 4.9 11.6 1.0
O3' A:FAD500 5.0 10.0 1.0

Chlorine binding site 2 out of 2 in 4bk3

Go back to Chlorine Binding Sites List in 4bk3
Chlorine binding site 2 out of 2 in the Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Y105F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1399

b:27.6
occ:1.00
 CL A:CL1398 2.9 25.4 1.0
O A:HOH2222 3.0 26.6 1.0
N A:SER305 3.1 11.3 1.0
O A:LEU300 3.4 18.9 1.0
N A:ALA304 3.5 11.6 1.0
N A:GLY306 3.7 10.2 1.0
CA A:SER305 3.7 11.0 1.0
CB A:LEU303 3.7 10.9 1.0
CG A:PRO299 3.7 11.9 1.0
C A:LEU303 3.7 11.8 1.0
CB A:SER305 3.8 11.5 1.0
N A:LEU303 3.8 11.8 1.0
CB A:PRO299 3.8 11.9 1.0
C A:SER305 3.9 10.5 1.0
CA A:LEU303 3.9 11.3 1.0
C A:ALA304 4.0 11.9 1.0
CG2 A:ILE351 4.1 8.2 1.0
CA A:ALA304 4.1 12.4 1.0
CA A:GLN301 4.1 15.2 1.0
C A:GLN301 4.2 14.4 1.0
O A:LEU303 4.4 11.8 1.0
C A:LEU300 4.4 15.1 1.0
O A:GLN301 4.5 14.2 1.0
N A:TYR302 4.5 13.3 1.0
OG A:SER305 4.6 12.1 1.0
CA A:GLY306 4.6 10.0 1.0
O A:SER305 4.8 10.6 1.0
CG A:LEU303 4.8 10.7 1.0
N A:GLN301 4.8 14.8 1.0
C A:TYR302 4.9 13.3 1.0

Reference:

S.Montersino, R.Orru, A.Barendregt, A.H.Westphal, E.Van Duijn, A.Mattevi, W.J.H.Van Berkel. Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation J.Biol.Chem. V. 288 26235 2013.
ISSN: ISSN 0021-9258
PubMed: 23864660
DOI: 10.1074/JBC.M113.479303
Page generated: Fri Jul 11 13:27:09 2025

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