Atomistry » Iron » PDB 2r1m-2rfb » 2rdb
Atomistry »
  Iron »
    PDB 2r1m-2rfb »
      2rdb »

Iron in PDB 2rdb: X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant

Protein crystallography data

The structure of X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant, PDB code: 2rdb was solved by L.J.Murray, R.Garcia-Serres, M.S.Mccormick, R.Davydov, S.Naik, B.M.Hoffman, B.H.Huynh, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.84 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.420, 182.420, 67.962, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 28.4

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant (pdb code 2rdb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant, PDB code: 2rdb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2rdb

Go back to Iron Binding Sites List in 2rdb
Iron binding site 1 out of 2 in the X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe499

b:39.3
occ:1.00
O2 A:GOL4975 2.0 43.9 1.0
O A:HOH5057 2.0 38.0 1.0
OE2 A:GLU134 2.1 33.5 1.0
OE1 A:GLU104 2.1 41.2 1.0
ND1 A:HIS137 2.1 28.5 1.0
O A:HOH5001 2.2 37.5 1.0
CD A:GLU134 3.0 44.7 1.0
FE A:FE500 3.0 45.2 1.0
CG A:HIS137 3.0 35.1 1.0
CD A:GLU104 3.1 45.3 1.0
CE1 A:HIS137 3.1 32.4 1.0
CB A:HIS137 3.3 29.8 1.0
OE1 A:GLU134 3.3 39.0 1.0
C2 A:GOL4975 3.4 57.5 1.0
OE2 A:GLU104 3.6 41.2 1.0
C1 A:GOL4975 4.1 55.5 1.0
CD2 A:HIS137 4.2 26.5 1.0
NE2 A:HIS137 4.2 42.9 1.0
OE1 A:GLU231 4.3 59.1 1.0
O3 A:GOL4975 4.4 65.2 1.0
CG A:GLU134 4.4 32.9 1.0
CG A:GLU104 4.4 35.9 1.0
C3 A:GOL4975 4.5 58.5 1.0
NE2 A:HIS234 4.6 38.6 1.0
CA A:GLU134 4.6 37.5 1.0
CE1 A:HIS234 4.6 37.5 1.0
CB A:GLU104 4.6 41.2 1.0
CG2 A:ILE227 4.7 44.0 1.0
CB A:GLU134 4.7 38.9 1.0
OE2 A:GLU231 4.8 52.4 1.0
CA A:HIS137 4.8 33.4 1.0
OE1 A:GLU197 4.9 39.9 1.0
CD A:GLU231 4.9 52.3 1.0

Iron binding site 2 out of 2 in 2rdb

Go back to Iron Binding Sites List in 2rdb
Iron binding site 2 out of 2 in the X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Crystal Structure of Toluene/O-Xylene Monooxygenase Hydroxylase I100W Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:45.2
occ:1.00
OE1 A:GLU134 2.0 39.0 1.0
O A:HOH5057 2.0 38.0 1.0
OE1 A:GLU197 2.0 39.9 1.0
OE2 A:GLU231 2.1 52.4 1.0
O2 A:GOL4975 2.2 43.9 1.0
NE2 A:HIS234 2.2 38.6 1.0
CD A:GLU231 2.9 52.3 1.0
CD A:GLU134 3.0 44.7 1.0
C2 A:GOL4975 3.0 57.5 1.0
FE A:FE499 3.0 39.3 1.0
CE1 A:HIS234 3.0 37.5 1.0
OE1 A:GLU231 3.1 59.1 1.0
CD A:GLU197 3.2 46.4 1.0
OE2 A:GLU134 3.3 33.5 1.0
CD2 A:HIS234 3.3 26.4 1.0
O A:HOH5002 3.7 40.9 1.0
O A:HOH5001 3.9 37.5 1.0
C3 A:GOL4975 3.9 58.5 1.0
CG A:GLU197 4.1 43.8 1.0
O3 A:GOL4975 4.1 65.2 1.0
OE2 A:GLU197 4.2 51.6 1.0
ND1 A:HIS234 4.2 39.0 1.0
C1 A:GOL4975 4.2 55.5 1.0
CG A:GLU134 4.3 32.9 1.0
CG A:HIS234 4.3 37.8 1.0
CG A:GLU231 4.3 47.3 1.0
ND1 A:HIS137 4.4 28.5 1.0
OE1 A:GLU104 4.5 41.2 1.0
CE1 A:HIS137 4.7 32.4 1.0
CB A:GLU197 4.8 45.8 1.0

Reference:

L.J.Murray, R.Garcia-Serres, M.S.Mccormick, R.Davydov, S.G.Naik, S.H.Kim, B.M.Hoffman, B.H.Huynh, S.J.Lippard. Dioxygen Activation at Non-Heme Diiron Centers: Oxidation of A Proximal Residue in the I100W Variant of Toluene/O-Xylene Monooxygenase Hydroxylase. Biochemistry V. 46 14795 2007.
ISSN: ISSN 0006-2960
PubMed: 18044971
DOI: 10.1021/BI7017128
Page generated: Sun Dec 13 14:52:41 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy