Atomistry » Iron » PDB 5sx3-5tia » 5tdu
Atomistry »
  Iron »
    PDB 5sx3-5tia »
      5tdu »

Iron in PDB 5tdu: Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal

Protein crystallography data

The structure of Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal, PDB code: 5tdu was solved by J.F.Acheson, B.G.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.85 / 1.74
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 99.237, 116.003, 180.721, 90.00, 90.00, 90.00
R / Rfree (%) 14 / 18

Iron Binding Sites:

The binding sites of Iron atom in the Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal (pdb code 5tdu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal, PDB code: 5tdu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5tdu

Go back to Iron Binding Sites List in 5tdu
Iron binding site 1 out of 2 in the Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.8
occ:1.00
HO1 A:PCR503 1.5 34.9 0.9
OE2 A:GLU104 2.1 16.8 1.0
OE1 A:GLU134 2.1 13.5 1.0
ND1 A:HIS137 2.2 10.4 1.0
O A:HOH661 2.2 17.0 1.0
O A:HOH621 2.3 15.4 1.0
OH A:PCR503 2.3 29.1 0.9
CD A:GLU104 3.1 17.1 1.0
CE1 A:HIS137 3.1 10.3 1.0
CZ A:PCR503 3.1 29.4 0.9
CD A:GLU134 3.1 13.2 1.0
FE A:FE502 3.2 18.2 1.0
CG A:HIS137 3.2 11.2 1.0
HE21 A:PCR503 3.4 35.5 0.9
OE2 A:GLU134 3.4 13.3 1.0
OE1 A:GLU104 3.4 16.8 1.0
CE2 A:PCR503 3.5 29.6 0.9
CB A:HIS137 3.6 12.2 1.0
CE1 A:PCR503 4.0 29.8 0.9
HE11 A:PCR503 4.2 35.7 0.9
O A:HOH721 4.2 21.4 1.0
NE2 A:HIS137 4.2 10.6 1.0
OE2 A:GLU231 4.3 21.4 1.0
CD2 A:HIS137 4.3 10.9 1.0
CG A:GLU104 4.4 16.1 1.0
CG A:GLU134 4.5 12.4 1.0
CG2 A:ILE227 4.5 11.2 1.0
CE1 A:HIS234 4.5 13.5 1.0
CA A:GLU134 4.7 11.5 1.0
CD2 A:PCR503 4.7 29.4 0.9
NE2 A:HIS234 4.7 13.1 1.0
CB A:GLU104 4.7 14.4 1.0
CD A:GLU231 4.9 20.2 1.0
CB A:GLU134 4.9 11.8 1.0
OE2 A:GLU197 4.9 25.0 1.0

Iron binding site 2 out of 2 in 5tdu

Go back to Iron Binding Sites List in 5tdu
Iron binding site 2 out of 2 in the Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Toluene 4-Monooxygenase (T4MOHD) Bound to Product After Turnover in Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:18.2
occ:1.00
OE2 A:GLU197 2.0 25.0 1.0
OE2 A:GLU231 2.0 21.4 1.0
O A:HOH621 2.1 15.4 1.0
OE2 A:GLU134 2.2 13.3 1.0
NE2 A:HIS234 2.3 13.1 1.0
OH A:PCR503 2.3 29.1 0.9
HO1 A:PCR503 2.5 34.9 0.9
CD A:GLU197 2.9 21.5 1.0
CE1 A:HIS234 3.0 13.5 1.0
CD A:GLU134 3.1 13.2 1.0
CD A:GLU231 3.1 20.2 1.0
FE A:FE501 3.2 14.8 1.0
CD2 A:HIS234 3.4 13.2 1.0
OE1 A:GLU134 3.4 13.5 1.0
CZ A:PCR503 3.5 29.4 0.9
O A:HOH616 3.6 17.1 1.0
OE1 A:GLU231 3.6 22.1 1.0
OE1 A:GLU197 3.7 23.5 1.0
CG A:GLU197 3.7 16.7 1.0
HE11 A:PCR503 4.0 35.7 0.9
CE1 A:PCR503 4.2 29.8 0.9
ND1 A:HIS234 4.2 11.4 1.0
CG A:GLU231 4.3 16.9 1.0
O A:HOH661 4.4 17.0 1.0
HE21 A:PCR503 4.4 35.5 0.9
CG A:HIS234 4.4 12.0 1.0
CG A:GLU134 4.4 12.4 1.0
CE2 A:PCR503 4.5 29.6 0.9
CA A:GLU231 4.6 11.2 1.0
CB A:GLU231 4.6 12.3 1.0
CB A:GLU197 4.7 13.7 1.0
ND1 A:HIS137 4.7 10.4 1.0
O A:HOH721 4.8 21.4 1.0
CE1 A:HIS137 4.8 10.3 1.0
OE2 A:GLU104 4.9 16.8 1.0

Reference:

J.F.Acheson, L.J.Bailey, T.C.Brunold, B.G.Fox. In-Crystal Reaction Cycle of A Toluene-Bound Diiron Hydroxylase. Nature V. 544 191 2017.
ISSN: ESSN 1476-4687
PubMed: 28346937
DOI: 10.1038/NATURE21681
Page generated: Tue Aug 6 08:55:34 2024

Last articles

Ca in 5TAD
Ca in 5T5O
Ca in 5TA5
Ca in 5TAC
Ca in 5TA0
Ca in 5TA1
Ca in 5T9Q
Ca in 5T9K
Ca in 5T9I
Ca in 5T8D
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy