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Chlorine in PDB 4bk1: Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: H213S Mutant in Complex with 3-Hydroxybenzoate

Enzymatic activity of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: H213S Mutant in Complex with 3-Hydroxybenzoate

All present enzymatic activity of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: H213S Mutant in Complex with 3-Hydroxybenzoate:
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: H213S Mutant in Complex with 3-Hydroxybenzoate, PDB code: 4bk1 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) 84.91 / 1.73
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 105.820, 105.820, 142.290, 90.00, 90.00, 90.00
R / Rfree (%) 15.839 / 20.118

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: H213S Mutant in Complex with 3-Hydroxybenzoate (pdb code 4bk1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: H213S Mutant in Complex with 3-Hydroxybenzoate, PDB code: 4bk1:

Chlorine binding site 1 out of 1 in 4bk1

Go back to Chlorine Binding Sites List in 4bk1
Chlorine binding site 1 out of 1 in the Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: H213S Mutant in Complex with 3-Hydroxybenzoate


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: H213S Mutant in Complex with 3-Hydroxybenzoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1401

b:25.4
occ:1.00
 O A:HOH2270 3.0 18.7 1.0
N A:GLY306 3.1 15.6 1.0
N10 A:FAD1398 3.3 18.2 1.0
C10 A:FAD1398 3.3 17.8 1.0
CA A:GLN301 3.3 23.0 1.0
NE2 A:GLN301 3.4 42.7 1.0
C1' A:FAD1398 3.4 18.5 1.0
N A:SER305 3.6 15.1 1.0
N1 A:FAD1398 3.6 16.0 1.0
CG A:PRO299 3.8 17.1 1.0
CA A:GLY306 3.8 16.0 1.0
CB A:GLN301 3.8 27.9 1.0
C9A A:FAD1398 3.9 20.1 1.0
O A:GLN301 4.0 19.1 1.0
C4X A:FAD1398 4.0 18.3 1.0
C A:GLN301 4.0 19.7 1.0
CA A:ALA304 4.1 16.5 1.0
O A:LEU300 4.1 22.8 1.0
C A:SER305 4.1 14.6 1.0
C A:ALA304 4.2 14.9 1.0
N A:ALA304 4.2 16.1 1.0
C2 A:FAD1398 4.3 14.2 1.0
N A:GLN301 4.3 20.6 1.0
CA A:SER305 4.4 14.3 1.0
C A:LEU300 4.4 20.2 1.0
C5X A:FAD1398 4.4 18.4 1.0
CD A:GLN301 4.5 38.3 1.0
N5 A:FAD1398 4.6 19.4 1.0
C9 A:FAD1398 4.6 19.4 1.0
CB A:PRO299 4.7 16.2 1.0
C4 A:FAD1398 4.7 16.7 1.0
CG A:GLN301 4.7 37.3 1.0
N3 A:FAD1398 4.8 16.9 1.0
C2' A:FAD1398 4.9 20.4 1.0
CD A:PRO299 4.9 16.6 1.0
O2 A:FAD1398 5.0 17.1 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: Sun Jul 21 10:17:00 2024

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