Atomistry » Iron » PDB 3hnj-3i8r » 3i51
Atomistry »
  Iron »
    PDB 3hnj-3i8r »
      3i51 »

Iron in PDB 3i51: Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol

Enzymatic activity of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol

All present enzymatic activity of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol:
1.13.11.1;

Protein crystallography data

The structure of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol, PDB code: 3i51 was solved by I.Matera, M.Ferraroni, M.Kolomytseva, F.Briganti, A.Scozzafava, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.74 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.402, 37.487, 74.993, 90.00, 95.23, 90.00
R / Rfree (%) 21.5 / 28

Other elements in 3i51:

The structure of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol (pdb code 3i51). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol, PDB code: 3i51:

Iron binding site 1 out of 1 in 3i51

Go back to Iron Binding Sites List in 3i51
Iron binding site 1 out of 1 in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 4,5-Dichlorocatechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe281

b:20.2
occ:1.00
 OH A:TYR162 1.8 22.8 1.0
O7 A:45C1 2.0 25.1 1.0
NE2 A:HIS222 2.1 14.3 1.0
O8 A:45C1 2.1 26.6 1.0
NE2 A:HIS220 2.2 21.2 1.0
C1 A:45C1 2.8 25.8 1.0
C2 A:45C1 2.9 24.6 1.0
CZ A:TYR162 3.0 20.5 1.0
CE1 A:HIS222 3.0 16.7 1.0
CD2 A:HIS220 3.1 19.1 1.0
CD2 A:HIS222 3.2 18.1 1.0
CE1 A:HIS220 3.2 16.4 1.0
CE1 A:TYR162 3.6 23.3 1.0
O A:HOH8 3.9 18.0 1.0
CE2 A:TYR162 3.9 24.1 1.0
O A:HOH3 4.0 17.8 1.0
C6 A:45C1 4.1 26.4 1.0
ND1 A:HIS222 4.2 19.7 1.0
C3 A:45C1 4.2 26.5 1.0
CG A:HIS222 4.3 15.7 1.0
NH1 A:ARG217 4.3 20.6 1.0
ND1 A:HIS220 4.3 18.1 1.0
CG A:HIS220 4.3 18.8 1.0
CD1 A:TYR106 4.4 27.4 1.0
CD1 A:TYR162 4.9 20.7 1.0

Reference:

I.Matera, M.Ferraroni, M.Kolomytseva, L.Golovleva, A.Scozzafava, F.Briganti. Catechol 1,2-Dioxygenase From the Gram-Positive Rhodococcus Opacus 1CP: Quantitative Structure/Activity Relationship and the Crystal Structures of Native Enzyme and Catechols Adducts. J.Struct.Biol. V. 170 548 2010.
ISSN: ISSN 1047-8477
PubMed: 20040374
DOI: 10.1016/J.JSB.2009.12.023
Page generated: Sun Aug 4 11:52:21 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy