Atomistry » Iron » PDB 1yev-1yqo » 1yfw
Atomistry »
  Iron »
    PDB 1yev-1yqo »
      1yfw »

Iron in PDB 1yfw: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2

Enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2:
1.13.11.6;

Protein crystallography data

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2, PDB code: 1yfw was solved by Y.Zhang, K.L.Colabroy, T.P.Begley, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.65 / 2.00
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.200, 58.200, 231.700, 90.00, 90.00, 120.00
R / Rfree (%) 23.4 / 26.8

Other elements in 1yfw:

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2 (pdb code 1yfw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2, PDB code: 1yfw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1yfw

Go back to Iron Binding Sites List in 1yfw
Iron binding site 1 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2


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 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:42.7
occ:1.00
OAD A:4AA401 2.0 43.7 1.0
O2 A:OXY310 2.1 53.9 1.0
ND1 A:HIS51 2.1 44.5 1.0
NE2 A:HIS95 2.2 40.0 1.0
OE1 A:GLU57 2.3 46.9 1.0
OE2 A:GLU57 2.8 44.5 1.0
CD A:GLU57 2.9 44.4 1.0
CAK A:4AA401 3.0 43.5 1.0
CE1 A:HIS51 3.1 42.3 1.0
CG A:HIS51 3.1 43.6 1.0
CE1 A:HIS95 3.2 42.2 1.0
CD2 A:HIS95 3.2 41.4 1.0
O1 A:OXY310 3.2 60.4 1.0
NAA A:4AA401 3.3 44.7 1.0
CB A:HIS51 3.5 42.1 1.0
CAI A:4AA401 3.5 44.4 1.0
OE2 A:GLU110 3.9 44.9 1.0
CAJ A:4AA401 4.0 44.4 1.0
NE2 A:HIS51 4.2 46.1 1.0
CD2 A:HIS51 4.2 44.9 1.0
ND1 A:HIS95 4.3 41.5 1.0
CG A:HIS95 4.3 41.9 1.0
CG A:GLU57 4.4 41.6 1.0
CLAE A:4AA401 4.5 43.2 1.0
OD1 A:ASP53 4.5 41.0 1.0
CB A:ASP53 4.6 42.2 1.0
CAL A:4AA401 4.8 44.3 1.0
CD A:GLU110 4.8 46.4 1.0
CA A:HIS51 4.9 42.6 1.0

Iron binding site 2 out of 2 in 1yfw

Go back to Iron Binding Sites List in 1yfw
Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:58.9
occ:1.00
SG A:CYS128 2.3 65.9 1.0
SG A:CYS125 2.4 59.4 1.0
SG A:CYS162 2.4 60.1 1.0
SG A:CYS165 2.4 74.2 1.0
CB A:CYS125 2.9 58.4 1.0
CB A:CYS162 3.2 62.5 1.0
CB A:CYS128 3.4 66.7 1.0
N A:CYS128 3.5 66.8 1.0
CB A:CYS165 3.7 74.0 1.0
CA A:CYS128 4.0 66.3 1.0
N A:CYS165 4.0 74.3 1.0
CB A:ALA127 4.2 68.4 1.0
CB A:GLN167 4.3 67.3 1.0
CA A:CYS165 4.4 73.7 1.0
CA A:CYS125 4.4 59.2 1.0
CB A:HIS164 4.5 78.6 1.0
N A:GLY129 4.5 67.2 1.0
C A:ALA127 4.6 67.8 1.0
C A:CYS128 4.7 66.2 1.0
CA A:CYS162 4.7 63.4 1.0
CB A:HIS130 4.7 68.7 1.0
CD2 A:HIS164 4.8 82.0 1.0
CA A:ALA127 4.8 68.1 1.0
N A:HIS130 4.8 63.6 1.0
N A:ALA127 4.9 68.7 1.0
C A:HIS164 4.9 75.4 1.0
C A:CYS165 4.9 72.3 1.0
N A:GLN167 4.9 66.8 1.0
C A:CYS125 5.0 61.5 1.0

Reference:

Y.Zhang, K.L.Colabroy, T.P.Begley, S.E.Ealick. Structural Studies on 3-Hydroxyanthranilate-3,4-Dioxygenase: the Catalytic Mechanism of A Complex Oxidation Involved in Nad Biosynthesis. Biochemistry V. 44 7632 2005.
ISSN: ISSN 0006-2960
PubMed: 15909978
DOI: 10.1021/BI047353L
Page generated: Sat Aug 3 17:44:08 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy