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Chlorine in PDB 4bjz: Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Native Data

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

All present enzymatic activity of Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy For Regioselective Aromatic Hydroxylation: Native Data:
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: Native Data, PDB code: 4bjz 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) 30.00 / 1.51
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 106.790, 106.790, 142.716, 90.00, 90.00, 90.00
R / Rfree (%) 16.822 / 20.051

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: Native Data (pdb code 4bjz). 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: Native Data, PDB code: 4bjz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4bjz

Go back to Chlorine Binding Sites List in 4bjz
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: Native Data


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: Native Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1398

b:18.7
occ:1.00
 CL A:CL1399 2.9 24.9 1.0
N A:GLY306 3.1 8.9 1.0
CA A:GLN301 3.3 12.2 1.0
O A:HOH2350 3.3 21.0 1.0
N10 A:FAD500 3.3 12.7 1.0
C10 A:FAD500 3.3 10.8 1.0
C1' A:FAD500 3.5 12.1 1.0
CB A:GLN301 3.5 13.7 1.0
N A:SER305 3.5 9.3 1.0
N1 A:FAD500 3.6 9.9 1.0
CA A:GLY306 3.7 9.1 1.0
CG A:PRO299 3.8 10.4 1.0
C9A A:FAD500 3.9 13.5 1.0
CA A:ALA304 4.0 10.3 1.0
O A:GLN301 4.0 11.2 1.0
C A:GLN301 4.0 11.2 1.0
C4X A:FAD500 4.0 11.1 1.0
C A:SER305 4.1 8.9 1.0
C A:ALA304 4.1 9.8 1.0
N A:ALA304 4.1 9.6 1.0
O A:LEU300 4.1 14.6 1.0
N A:GLN301 4.3 11.7 1.0
C2 A:FAD500 4.3 9.5 1.0
CA A:SER305 4.3 9.0 1.0
C A:LEU300 4.4 12.4 1.0
C5X A:FAD500 4.5 14.4 1.0
N5 A:FAD500 4.5 13.6 1.0
C9 A:FAD500 4.6 14.3 1.0
CB A:PRO299 4.7 10.2 1.0
C4 A:FAD500 4.7 11.7 1.0
N3 A:FAD500 4.8 10.4 1.0
CG A:GLN301 4.9 15.7 1.0
CD A:PRO299 4.9 10.2 1.0
C2' A:FAD500 4.9 12.2 1.0
O A:PRO299 4.9 11.8 1.0
O2 A:FAD500 5.0 9.6 1.0
C A:GLY306 5.0 9.0 1.0

Chlorine binding site 2 out of 2 in 4bjz

Go back to Chlorine Binding Sites List in 4bjz
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: Native Data


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: Native Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1399

b:24.9
occ:1.00
 CL A:CL1398 2.9 18.7 1.0
O A:HOH2351 3.0 19.2 1.0
N A:SER305 3.1 9.3 1.0
O A:LEU300 3.5 14.6 1.0
N A:ALA304 3.5 9.6 1.0
N A:GLY306 3.6 8.9 1.0
CA A:SER305 3.7 9.0 1.0
CB A:LEU303 3.7 8.9 1.0
CG A:PRO299 3.7 10.4 1.0
C A:LEU303 3.8 9.8 1.0
CB A:SER305 3.8 9.2 1.0
C A:SER305 3.8 8.9 1.0
N A:LEU303 3.8 9.5 1.0
CB A:PRO299 3.9 10.2 1.0
CA A:LEU303 3.9 9.2 1.0
CG2 A:ILE351 4.0 9.0 1.0
C A:ALA304 4.1 9.8 1.0
CA A:GLN301 4.2 12.2 1.0
CA A:ALA304 4.2 10.3 1.0
C A:GLN301 4.3 11.2 1.0
O A:LEU303 4.4 10.0 1.0
O A:GLN301 4.4 11.2 1.0
C A:LEU300 4.5 12.4 1.0
CA A:GLY306 4.5 9.1 1.0
OG A:SER305 4.6 9.6 1.0
N A:TYR302 4.6 10.8 1.0
O A:SER305 4.7 9.0 1.0
CG A:LEU303 4.8 9.1 1.0
CE A:MET309 4.9 9.8 1.0
N A:GLN301 4.9 11.7 1.0
C A:TYR302 5.0 10.5 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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