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Iron in PDB 3eqq: Apo Toluene 2,3-Dioxygenase

Enzymatic activity of Apo Toluene 2,3-Dioxygenase

All present enzymatic activity of Apo Toluene 2,3-Dioxygenase:
1.14.12.11;

Protein crystallography data

The structure of Apo Toluene 2,3-Dioxygenase, PDB code: 3eqq was solved by R.Friemann, K.Lee, E.N.Brown, D.T.Gibson, H.Eklund, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.17 / 3.20
Space group P 43 3 2
Cell size a, b, c (Å), α, β, γ (°) 235.873, 235.873, 235.873, 90.00, 90.00, 90.00
R / Rfree (%) 24.5 / 27.9

Iron Binding Sites:

The binding sites of Iron atom in the Apo Toluene 2,3-Dioxygenase (pdb code 3eqq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Apo Toluene 2,3-Dioxygenase, PDB code: 3eqq:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 3eqq

Go back to Iron Binding Sites List in 3eqq
Iron binding site 1 out of 3 in the Apo Toluene 2,3-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Apo Toluene 2,3-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe451

b:70.6
occ:1.00
FE1 A:FES451 0.0 70.6 1.0
ND1 A:HIS119 2.1 69.4 1.0
ND1 A:HIS98 2.1 61.2 1.0
S2 A:FES451 2.2 67.1 1.0
S1 A:FES451 2.2 66.6 1.0
FE2 A:FES451 2.8 68.8 1.0
CG A:HIS119 3.0 69.7 1.0
CG A:HIS98 3.0 62.1 1.0
CE1 A:HIS98 3.1 61.7 1.0
CE1 A:HIS119 3.1 70.4 1.0
CB A:HIS119 3.2 70.4 1.0
CB A:HIS98 3.3 62.5 1.0
N A:HIS119 3.9 71.3 1.0
SG A:CYS96 4.0 61.1 1.0
CD2 A:HIS98 4.1 61.9 1.0
NE2 A:HIS98 4.1 61.8 1.0
N A:ARG99 4.1 63.9 1.0
CD2 A:HIS119 4.1 69.6 1.0
CA A:HIS119 4.2 70.3 1.0
NE2 A:HIS119 4.2 69.3 1.0
CB A:TYR118 4.3 73.7 1.0
SG A:CYS116 4.5 69.9 1.0
CB A:ARG99 4.5 64.7 1.0
CA A:HIS98 4.5 62.8 1.0
C A:HIS98 4.6 63.5 1.0
CD1 A:TYR118 4.6 73.4 1.0
C A:TYR118 4.7 72.1 1.0
CG A:TYR118 4.8 74.2 1.0
CG A:ARG99 4.9 64.9 1.0
CA A:ARG99 4.9 64.5 1.0
C A:HIS119 5.0 69.6 1.0

Iron binding site 2 out of 3 in 3eqq

Go back to Iron Binding Sites List in 3eqq
Iron binding site 2 out of 3 in the Apo Toluene 2,3-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Apo Toluene 2,3-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe451

b:68.8
occ:1.00
FE2 A:FES451 0.0 68.8 1.0
SG A:CYS116 1.9 69.9 1.0
S1 A:FES451 2.2 66.6 1.0
S2 A:FES451 2.2 67.1 1.0
SG A:CYS96 2.4 61.1 1.0
FE1 A:FES451 2.8 70.6 1.0
CB A:CYS116 3.2 70.2 1.0
CB A:CYS96 3.2 61.5 1.0
CB A:MET101 4.0 60.9 1.0
N A:HIS119 4.1 71.3 1.0
CB A:TYR118 4.1 73.7 1.0
ND1 A:HIS119 4.4 69.4 1.0
O A:CYS116 4.4 70.7 1.0
CA A:CYS116 4.5 70.3 1.0
CB A:HIS98 4.5 62.5 1.0
C A:CYS116 4.6 70.8 1.0
ND1 A:HIS98 4.6 61.2 1.0
N A:TYR118 4.6 73.0 1.0
CG A:MET101 4.7 60.9 1.0
CA A:CYS96 4.7 61.3 1.0
CB A:HIS119 4.7 70.4 1.0
CA A:TYR118 4.7 72.9 1.0
N A:MET101 4.8 61.5 1.0
C A:TYR118 4.9 72.1 1.0
CA A:HIS119 4.9 70.3 1.0
CB A:TRP121 4.9 62.7 1.0
CG A:HIS119 5.0 69.7 1.0
CA A:MET101 5.0 61.3 1.0

Iron binding site 3 out of 3 in 3eqq

Go back to Iron Binding Sites List in 3eqq
Iron binding site 3 out of 3 in the Apo Toluene 2,3-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Apo Toluene 2,3-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe188

b:94.9
occ:0.33
NE2 B:HIS24 2.4 88.0 1.0
CD2 B:HIS24 3.1 86.6 1.0
CE1 B:HIS24 3.5 87.9 1.0
CG B:HIS24 4.4 83.3 1.0
ND1 B:HIS24 4.5 86.8 1.0
OE2 B:GLU27 4.5 75.2 1.0

Reference:

R.Friemann, K.Lee, E.N.Brown, D.T.Gibson, H.Eklund, S.Ramaswamy. Structures of the Multicomponent Rieske Non-Heme Iron Toluene 2,3-Dioxygenase Enzyme System Acta Crystallogr.,Sect.D V. 65 24 2009.
ISSN: ISSN 0907-4449
PubMed: 19153463
DOI: 10.1107/S0907444908036524
Page generated: Sun Aug 4 09:50:17 2024

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