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Iron in PDB 2buw: Crystal Structure of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate

Enzymatic activity of Crystal Structure of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate

All present enzymatic activity of Crystal Structure of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate:
1.13.11.3;

Protein crystallography data

The structure of Crystal Structure of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate, PDB code: 2buw was solved by M.W.Vetting, M.P.Valley, D.A.D'argenio, L.N.Ornston, J.D.Lipscomb, D.H.Ohlendorf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 1.86 / 1.80
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 144.670, 144.670, 144.670, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 19.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate (pdb code 2buw). 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 of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate, PDB code: 2buw:

Iron binding site 1 out of 1 in 2buw

Go back to Iron Binding Sites List in 2buw
Iron binding site 1 out of 1 in the Crystal Structure of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Protocatechuate 3,4-Dioxygenase From Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe600

b:19.6
occ:1.00
 O4 B:PHB999 1.7 29.1 1.0
OH B:TYR408 1.8 18.7 1.0
OH B:TYR447 2.0 19.6 1.0
NE2 B:HIS460 2.1 13.2 1.0
NE2 B:HIS462 2.2 15.3 1.0
CE1 B:HIS460 2.9 14.3 1.0
C4 B:PHB999 2.9 26.9 1.0
CZ B:TYR408 3.0 17.7 1.0
CE1 B:HIS462 3.0 18.4 1.0
CZ B:TYR447 3.1 17.7 1.0
CD2 B:HIS460 3.2 14.2 1.0
CD2 B:HIS462 3.3 18.6 1.0
C5 B:PHB999 3.5 25.2 1.0
CE2 B:TYR447 3.6 16.9 1.0
CE2 B:TYR408 3.6 18.1 1.0
CE1 B:TYR408 4.0 18.0 1.0
C3 B:PHB999 4.0 25.3 1.0
ND1 B:HIS460 4.1 15.0 1.0
O B:HOH2100 4.1 23.1 1.0
O B:HOH2113 4.1 16.1 1.0
ND1 B:HIS462 4.2 16.4 1.0
CG B:HIS460 4.3 13.9 1.0
CE1 B:TYR447 4.3 18.2 1.0
O B:HOH2122 4.3 28.8 1.0
O A:HOH2009 4.4 22.1 1.0
CG B:HIS462 4.4 16.7 1.0
OE1 B:GLN477 4.9 31.8 1.0
C6 B:PHB999 4.9 25.1 1.0
CD2 B:TYR408 4.9 16.6 1.0
CD2 B:TYR447 4.9 17.9 1.0

Reference:

M.W.Vetting, M.W.Vetting, M.P.Valley, D.A.D'argenio, L.N.Ornston, J.D.Lipscomb, D.H.Ohlendorf. N/A N/A.
Page generated: Thu Jul 17 00:03:26 2025

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