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Chlorine in PDB 3pf7: Crystal Structure of Boxb with Malonate Bound to the Diiron Center

Enzymatic activity of Crystal Structure of Boxb with Malonate Bound to the Diiron Center

All present enzymatic activity of Crystal Structure of Boxb with Malonate Bound to the Diiron Center:
1.14.12.21;

Protein crystallography data

The structure of Crystal Structure of Boxb with Malonate Bound to the Diiron Center, PDB code: 3pf7 was solved by T.Weinert, L.J.Rather, G.Fuchs, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.86 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 112.790, 213.490, 137.190, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 21.7

Other elements in 3pf7:

The structure of Crystal Structure of Boxb with Malonate Bound to the Diiron Center also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Boxb with Malonate Bound to the Diiron Center (pdb code 3pf7). 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 Boxb with Malonate Bound to the Diiron Center, PDB code: 3pf7:

Chlorine binding site 1 out of 1 in 3pf7

Go back to Chlorine Binding Sites List in 3pf7
Chlorine binding site 1 out of 1 in the Crystal Structure of Boxb with Malonate Bound to the Diiron Center


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 Boxb with Malonate Bound to the Diiron Center within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl482

b:44.6
occ:1.00
 HH21 A:ARG110 2.4 38.4 1.0
HH11 A:ARG106 2.4 39.6 1.0
HE A:ARG110 2.6 33.8 1.0
HA A:SER107 2.8 34.1 1.0
HB3 A:SER107 3.0 37.8 1.0
HG2 A:ARG106 3.1 39.9 1.0
NH1 A:ARG106 3.1 33.0 1.0
NH2 A:ARG110 3.1 32.0 1.0
HH12 A:ARG106 3.3 39.6 1.0
HD3 A:ARG106 3.4 44.4 1.0
NE A:ARG110 3.4 28.1 1.0
CA A:SER107 3.5 28.4 1.0
CB A:SER107 3.6 31.5 1.0
CZ A:ARG110 3.7 39.7 1.0
N A:SER107 3.7 23.0 1.0
HB2 A:SER107 3.8 37.8 1.0
HH22 A:ARG110 3.8 38.4 1.0
CG A:ARG106 3.8 33.3 1.0
HB3 A:ARG106 3.9 31.5 1.0
CD A:ARG106 4.0 37.0 1.0
C A:ARG106 4.0 21.6 1.0
H A:SER107 4.1 27.5 1.0
O A:HOH793 4.2 41.2 1.0
CZ A:ARG106 4.2 40.6 1.0
O A:ARG106 4.3 22.0 1.0
CB A:ARG106 4.3 26.3 1.0
HB3 A:ARG110 4.4 25.3 1.0
HB2 A:ARG110 4.5 25.3 1.0
OD2 A:ASP168 4.5 27.1 1.0
NE A:ARG106 4.5 43.7 1.0
CD A:ARG110 4.6 27.0 1.0
HD3 A:ARG110 4.6 32.3 1.0
HD1 A:PHE165 4.6 30.4 1.0
HG3 A:ARG106 4.6 39.9 1.0
CB A:ARG110 4.8 21.1 1.0
HD2 A:ARG106 4.8 44.4 1.0
CA A:ARG106 4.9 18.6 1.0
C A:SER107 4.9 29.8 1.0
OG A:SER107 4.9 33.1 1.0
O A:HOH488 4.9 22.2 1.0

Reference:

L.J.Rather, T.Weinert, U.Demmer, E.Bill, W.Ismail, G.Fuchs, U.Ermler. Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase Boxb. J.Biol.Chem. V. 286 29241 2011.
ISSN: ISSN 0021-9258
PubMed: 21632537
DOI: 10.1074/JBC.M111.236893
Page generated: Fri Jul 11 09:05:23 2025

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