Atomistry » Iron » PDB 3mmb-3n5r » 3mv6
Atomistry »
  Iron »
    PDB 3mmb-3n5r »
      3mv6 »

Iron in PDB 3mv6: Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase

Enzymatic activity of Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase

All present enzymatic activity of Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase:
1.13.11.3;

Protein crystallography data

The structure of Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase, PDB code: 3mv6 was solved by V.M.Purpero, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.09 / 1.86
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 128.142, 140.831, 167.830, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.9

Other elements in 3mv6:

The structure of Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase (pdb code 3mv6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase, PDB code: 3mv6:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 3mv6

Go back to Iron Binding Sites List in 3mv6
Iron binding site 1 out of 3 in the Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Fe600

b:30.1
occ:0.75
O4 M:DHB539 2.0 23.9 0.8
O3 M:DHB539 2.1 32.2 0.8
OH M:TYR408 2.1 21.3 1.0
OH M:TYR462 2.1 28.7 1.0
NE2 M:HIS460 2.2 20.5 1.0
C4 M:DHB539 2.8 27.9 0.8
C3 M:DHB539 2.8 27.5 0.8
CE1 M:HIS460 3.0 17.9 1.0
CZ M:TYR462 3.0 21.2 1.0
CE2 M:TYR462 3.1 21.8 1.0
CZ M:TYR408 3.1 21.3 1.0
CD2 M:HIS460 3.4 20.0 1.0
CE2 M:TYR408 3.7 20.9 1.0
O A:HOH374 3.7 6.1 0.2
O M:HOH540 3.9 34.7 1.0
NH1 M:ARG457 3.9 17.8 1.0
CE1 M:TYR408 4.1 21.1 1.0
C5 M:DHB539 4.1 30.1 0.8
C2 M:DHB539 4.1 31.0 0.8
ND1 M:HIS460 4.2 18.9 1.0
CE1 M:TYR462 4.3 21.4 1.0
O M:HOH551 4.4 18.9 1.0
CG M:HIS460 4.4 17.8 1.0
CD2 M:TYR462 4.5 20.4 1.0
CG M:ARG457 4.7 16.9 1.0
O A:HOH374 4.9 18.9 0.8
OE1 M:GLN477 5.0 21.8 1.0

Iron binding site 2 out of 3 in 3mv6

Go back to Iron Binding Sites List in 3mv6
Iron binding site 2 out of 3 in the Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe600

b:32.5
occ:0.80
O4 N:DHB540 1.9 27.4 0.8
OH N:TYR408 2.0 20.4 1.0
O3 N:DHB540 2.2 31.8 0.8
NE2 N:HIS460 2.3 18.4 1.0
OH N:TYR462 2.4 27.4 1.0
C4 N:DHB540 2.8 30.6 0.8
C3 N:DHB540 2.9 31.2 0.8
CE1 N:HIS460 3.0 19.4 1.0
CZ N:TYR408 3.0 19.7 1.0
CE2 N:TYR462 3.1 21.2 1.0
CZ N:TYR462 3.1 22.4 1.0
CD2 N:HIS460 3.4 19.9 1.0
CE2 N:TYR408 3.7 18.6 1.0
O B:HOH249 3.9 6.3 0.2
O N:HOH2 3.9 31.3 1.0
CE1 N:TYR408 4.0 20.4 1.0
NH2 N:ARG457 4.0 18.1 1.0
C5 N:DHB540 4.2 32.0 0.8
ND1 N:HIS460 4.2 19.5 1.0
C2 N:DHB540 4.3 33.0 0.8
CD2 N:TYR462 4.4 19.7 1.0
CE1 N:TYR462 4.4 21.7 1.0
CG N:HIS460 4.5 17.6 1.0
O N:HOH177 4.5 19.5 1.0
CG N:ARG457 4.7 17.1 1.0
O B:HOH249 4.9 19.3 0.8

Iron binding site 3 out of 3 in 3mv6

Go back to Iron Binding Sites List in 3mv6
Iron binding site 3 out of 3 in the Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Fe600

b:31.8
occ:0.75
O4 O:DHB539 2.1 33.4 0.8
OH O:TYR408 2.1 20.5 1.0
O3 O:DHB539 2.2 39.9 0.8
NE2 O:HIS460 2.3 19.1 1.0
OH O:TYR462 2.3 30.1 1.0
C4 O:DHB539 2.9 35.5 0.8
C3 O:DHB539 3.0 35.5 0.8
CE2 O:TYR462 3.0 23.5 1.0
CZ O:TYR462 3.0 24.1 1.0
CE1 O:HIS460 3.0 20.2 1.0
CZ O:TYR408 3.1 20.1 1.0
CD2 O:HIS460 3.4 19.1 1.0
O O:HOH3 3.8 32.5 1.0
CE2 O:TYR408 3.8 20.1 1.0
O C:HOH206 3.9 3.6 0.2
NH1 O:ARG457 4.0 19.1 1.0
CE1 O:TYR408 4.1 19.1 1.0
C5 O:DHB539 4.2 36.7 0.8
ND1 O:HIS460 4.3 19.1 1.0
C2 O:DHB539 4.3 35.5 0.8
CE1 O:TYR462 4.3 22.8 1.0
CD2 O:TYR462 4.3 19.9 1.0
CG O:HIS460 4.4 17.6 1.0
O O:HOH259 4.5 19.5 1.0
CG O:ARG457 4.7 19.2 1.0
O C:HOH206 4.9 21.3 0.8
OE1 O:GLN477 5.0 22.9 1.0

Reference:

V.M.Purpero, J.D.Lipscomb. Axial Ligand Swapping in Double Mutant Maintains Intradiol-Cleavage Chemistry in Protocatechuate 3,4-Dioxygenase To Be Published.
Page generated: Sun Aug 4 15:42:33 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