Atomistry » Chlorine » PDB 6e77-6el0 » 6ekx
Atomistry »
  Chlorine »
    PDB 6e77-6el0 »
      6ekx »

Chlorine in PDB 6ekx: Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I)

Enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I)

All present enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I):
1.11.2.1;

Protein crystallography data

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I), PDB code: 6ekx was solved by M.Ramirez-Escudero, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.04 / 1.13
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.086, 57.799, 60.691, 90.00, 109.89, 90.00
R / Rfree (%) 16.6 / 17.5

Other elements in 6ekx:

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I) also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I) (pdb code 6ekx). 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 Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I), PDB code: 6ekx:

Chlorine binding site 1 out of 1 in 6ekx

Go back to Chlorine Binding Sites List in 6ekx
Chlorine binding site 1 out of 1 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:25.1
occ:0.80
 O A:HOH744 2.8 14.6 1.0
N A:ASN71 2.9 10.6 1.0
CB A:ASN71 3.4 11.3 1.0
CB A:PRO238 3.6 10.5 1.0
CA A:ASP70 3.6 10.4 1.0
C A:ASP70 3.7 10.4 1.0
CA A:ASN71 3.7 10.9 1.0
CB A:ASP70 3.8 11.2 1.0
CB A:PRO8 3.8 16.0 1.0
O A:HOH727 3.8 23.3 1.0
CG A:PRO238 3.9 10.6 1.0
O A:HOH657 4.3 11.8 1.0
O A:HOH653 4.4 16.9 1.0
CG A:PRO8 4.4 15.9 1.0
CA A:PRO8 4.5 15.7 1.0
O A:PHE69 4.8 9.5 1.0
OE1 A:GLN64 4.8 12.4 1.0
CG A:ASN71 4.8 11.7 1.0
N A:ASP70 4.9 9.6 1.0
O A:ASP70 4.9 10.1 1.0
C A:ASN71 4.9 10.9 1.0
N A:GLN72 5.0 11.6 1.0

Reference:

M.Ramirez-Escudero, P.Molina-Espeja, P.Gomez De Santos, M.Hofrichter, J.Sanz-Aparicio, M.Alcalde. Structural Insights Into the Substrate Promiscuity of A Laboratory-Evolved Peroxygenase. Acs Chem.Biol. V. 13 3259 2018.
ISSN: ESSN 1554-8937
PubMed: 30376293
DOI: 10.1021/ACSCHEMBIO.8B00500
Page generated: Sat Jul 27 22:24:13 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy