Atomistry » Iron » PDB 3a0g-3ae5 » 3a17
Atomistry »
  Iron »
    PDB 3a0g-3ae5 »
      3a17 »

Iron in PDB 3a17: Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)

Enzymatic activity of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)

All present enzymatic activity of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal):
4.99.1.5;

Protein crystallography data

The structure of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal), PDB code: 3a17 was solved by H.Sawai, H.Sugimoto, Y.Kato, Y.Asano, Y.Shiro, S.Aono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.90 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 80.052, 103.931, 114.189, 76.50, 89.46, 87.55
R / Rfree (%) 21.1 / 24.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) (pdb code 3a17). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal), PDB code: 3a17:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 1 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe354

b:17.4
occ:1.00
FE A:HEM354 0.0 17.4 1.0
NC A:HEM354 2.0 15.7 1.0
NB A:HEM354 2.0 15.8 1.0
N1 A:BXO355 2.0 18.9 1.0
NA A:HEM354 2.0 16.3 1.0
ND A:HEM354 2.0 14.9 1.0
NE2 A:HIS299 2.2 18.5 1.0
O1 A:BXO355 2.9 18.4 1.0
C1 A:BXO355 2.9 20.3 1.0
C4B A:HEM354 3.0 16.0 1.0
C1C A:HEM354 3.0 15.6 1.0
C1A A:HEM354 3.0 16.6 1.0
C4C A:HEM354 3.0 15.1 1.0
CD2 A:HIS299 3.0 19.3 1.0
C4D A:HEM354 3.0 15.1 1.0
C1D A:HEM354 3.1 14.3 1.0
C1B A:HEM354 3.1 16.8 1.0
C4A A:HEM354 3.1 16.4 1.0
CE1 A:HIS299 3.2 20.6 1.0
CHC A:HEM354 3.4 15.9 1.0
CHA A:HEM354 3.4 15.7 1.0
CHD A:HEM354 3.4 14.7 1.0
CHB A:HEM354 3.5 16.4 1.0
CG A:HIS299 4.2 19.7 1.0
C3C A:HEM354 4.2 15.3 1.0
C3B A:HEM354 4.2 16.8 1.0
C2C A:HEM354 4.2 15.2 1.0
C2A A:HEM354 4.3 16.9 1.0
C2B A:HEM354 4.3 16.8 1.0
C3A A:HEM354 4.3 16.9 1.0
C3D A:HEM354 4.3 14.2 1.0
C2D A:HEM354 4.3 14.0 1.0
ND1 A:HIS299 4.3 19.2 1.0
C2 A:BXO355 4.4 20.7 1.0
OG A:SER219 4.8 18.2 1.0

Iron binding site 2 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 2 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe354

b:16.8
occ:1.00
FE B:HEM354 0.0 16.8 1.0
NE2 B:HIS299 2.0 16.3 1.0
N1 B:BXO355 2.0 25.3 1.0
NA B:HEM354 2.0 13.6 1.0
NB B:HEM354 2.0 14.1 1.0
ND B:HEM354 2.1 13.1 1.0
NC B:HEM354 2.1 14.4 1.0
C1 B:BXO355 2.8 26.7 1.0
CE1 B:HIS299 2.9 14.7 1.0
CD2 B:HIS299 3.0 14.9 1.0
O1 B:BXO355 3.0 27.5 1.0
C1A B:HEM354 3.0 13.6 1.0
C1D B:HEM354 3.0 13.3 1.0
C4A B:HEM354 3.0 12.9 1.0
C4D B:HEM354 3.1 13.8 1.0
C4C B:HEM354 3.1 14.3 1.0
C4B B:HEM354 3.1 14.9 1.0
C1B B:HEM354 3.1 14.4 1.0
C1C B:HEM354 3.1 13.3 1.0
CHA B:HEM354 3.4 13.7 1.0
CHD B:HEM354 3.4 13.9 1.0
CHC B:HEM354 3.4 14.1 1.0
CHB B:HEM354 3.4 13.5 1.0
ND1 B:HIS299 4.1 12.4 1.0
CG B:HIS299 4.1 14.4 1.0
C2A B:HEM354 4.2 13.2 1.0
C3A B:HEM354 4.2 13.1 1.0
C2D B:HEM354 4.3 13.2 1.0
C3B B:HEM354 4.3 14.5 1.0
C2 B:BXO355 4.3 25.9 1.0
C3C B:HEM354 4.3 13.9 1.0
C2B B:HEM354 4.3 14.6 1.0
C2C B:HEM354 4.3 14.3 1.0
C3D B:HEM354 4.3 13.5 1.0
OG B:SER219 4.7 18.5 1.0

Iron binding site 3 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 3 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe354

b:17.4
occ:1.00
FE C:HEM354 0.0 17.4 1.0
NE2 C:HIS299 1.9 18.8 1.0
N1 C:BXO355 2.0 18.9 1.0
NC C:HEM354 2.0 15.7 1.0
NB C:HEM354 2.0 15.8 1.0
ND C:HEM354 2.0 14.9 1.0
NA C:HEM354 2.0 16.3 1.0
O1 C:BXO355 2.9 18.4 1.0
CE1 C:HIS299 2.9 20.1 1.0
C1 C:BXO355 2.9 20.2 1.0
CD2 C:HIS299 3.0 19.0 1.0
C4C C:HEM354 3.0 15.1 1.0
C1C C:HEM354 3.0 15.6 1.0
C4B C:HEM354 3.0 16.0 1.0
C1D C:HEM354 3.0 14.3 1.0
C1A C:HEM354 3.0 16.5 1.0
C4D C:HEM354 3.1 15.0 1.0
C1B C:HEM354 3.1 16.8 1.0
C4A C:HEM354 3.1 16.4 1.0
CHD C:HEM354 3.4 14.7 1.0
CHC C:HEM354 3.4 15.9 1.0
CHA C:HEM354 3.4 15.7 1.0
CHB C:HEM354 3.5 16.4 1.0
ND1 C:HIS299 4.0 19.8 1.0
CG C:HIS299 4.1 19.8 1.0
C3C C:HEM354 4.2 15.3 1.0
C2C C:HEM354 4.2 15.2 1.0
C3B C:HEM354 4.3 16.7 1.0
C2A C:HEM354 4.3 16.9 1.0
C2D C:HEM354 4.3 14.0 1.0
C2B C:HEM354 4.3 16.8 1.0
C3D C:HEM354 4.3 14.2 1.0
C3A C:HEM354 4.3 16.9 1.0
C2 C:BXO355 4.4 20.7 1.0
OG C:SER219 4.8 17.9 1.0

Iron binding site 4 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 4 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe354

b:17.0
occ:1.00
FE D:HEM354 0.0 17.0 1.0
N1 D:BXO355 2.0 25.3 1.0
NE2 D:HIS299 2.0 16.7 1.0
NC D:HEM354 2.0 14.3 1.0
ND D:HEM354 2.0 13.0 1.0
NB D:HEM354 2.1 14.1 1.0
NA D:HEM354 2.1 13.6 1.0
C1 D:BXO355 2.8 26.7 1.0
CD2 D:HIS299 2.9 15.2 1.0
O1 D:BXO355 2.9 27.5 1.0
CE1 D:HIS299 3.0 14.9 1.0
C4C D:HEM354 3.0 14.3 1.0
C1D D:HEM354 3.0 13.3 1.0
C1A D:HEM354 3.0 13.6 1.0
C1C D:HEM354 3.1 13.4 1.0
C4B D:HEM354 3.1 14.9 1.0
C4D D:HEM354 3.1 13.8 1.0
C4A D:HEM354 3.1 12.9 1.0
C1B D:HEM354 3.1 14.4 1.0
CHD D:HEM354 3.3 14.0 1.0
CHA D:HEM354 3.4 13.7 1.0
CHC D:HEM354 3.4 14.1 1.0
CHB D:HEM354 3.5 13.5 1.0
ND1 D:HIS299 4.1 12.2 1.0
CG D:HIS299 4.1 14.3 1.0
C3C D:HEM354 4.2 13.8 1.0
C2C D:HEM354 4.3 14.2 1.0
C2D D:HEM354 4.3 13.2 1.0
C2A D:HEM354 4.3 13.2 1.0
C3B D:HEM354 4.3 14.5 1.0
C3A D:HEM354 4.3 13.2 1.0
C2 D:BXO355 4.3 25.9 1.0
C3D D:HEM354 4.3 13.4 1.0
C2B D:HEM354 4.3 14.7 1.0
OG D:SER219 4.7 18.2 1.0

Iron binding site 5 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 5 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe354

b:17.4
occ:1.00
FE E:HEM354 0.0 17.4 1.0
NE2 E:HIS299 1.9 18.7 1.0
N1 E:BXO355 2.0 18.9 1.0
NC E:HEM354 2.0 15.7 1.0
ND E:HEM354 2.0 14.9 1.0
NA E:HEM354 2.0 16.3 1.0
NB E:HEM354 2.0 15.9 1.0
O1 E:BXO355 2.9 18.4 1.0
C1 E:BXO355 2.9 20.2 1.0
CE1 E:HIS299 2.9 20.5 1.0
CD2 E:HIS299 2.9 19.2 1.0
C1A E:HEM354 3.0 16.5 1.0
C1D E:HEM354 3.0 14.3 1.0
C4C E:HEM354 3.0 15.1 1.0
C4D E:HEM354 3.0 15.0 1.0
C1C E:HEM354 3.0 15.6 1.0
C4B E:HEM354 3.0 15.9 1.0
C4A E:HEM354 3.1 16.4 1.0
C1B E:HEM354 3.1 16.8 1.0
CHA E:HEM354 3.4 15.7 1.0
CHD E:HEM354 3.4 14.8 1.0
CHC E:HEM354 3.4 15.9 1.0
CHB E:HEM354 3.5 16.4 1.0
ND1 E:HIS299 4.0 19.6 1.0
CG E:HIS299 4.1 19.8 1.0
C3C E:HEM354 4.2 15.3 1.0
C2A E:HEM354 4.2 16.9 1.0
C2C E:HEM354 4.3 15.2 1.0
C3D E:HEM354 4.3 14.2 1.0
C2D E:HEM354 4.3 14.0 1.0
C3B E:HEM354 4.3 16.7 1.0
C3A E:HEM354 4.3 16.9 1.0
C2B E:HEM354 4.3 16.7 1.0
C2 E:BXO355 4.4 20.7 1.0
OG E:SER219 4.8 18.2 1.0

Iron binding site 6 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 6 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe354

b:17.0
occ:1.00
FE F:HEM354 0.0 17.0 1.0
N1 F:BXO355 2.0 25.3 1.0
NE2 F:HIS299 2.0 16.5 1.0
NA F:HEM354 2.0 13.6 1.0
NC F:HEM354 2.0 14.4 1.0
ND F:HEM354 2.0 13.1 1.0
NB F:HEM354 2.1 14.2 1.0
C1 F:BXO355 2.8 26.7 1.0
CE1 F:HIS299 2.9 15.1 1.0
O1 F:BXO355 3.0 27.6 1.0
CD2 F:HIS299 3.0 15.1 1.0
C1A F:HEM354 3.0 13.6 1.0
C1D F:HEM354 3.0 13.2 1.0
C4C F:HEM354 3.0 14.2 1.0
C4D F:HEM354 3.1 13.8 1.0
C4A F:HEM354 3.1 12.9 1.0
C4B F:HEM354 3.1 14.9 1.0
C1C F:HEM354 3.1 13.4 1.0
C1B F:HEM354 3.1 14.3 1.0
CHD F:HEM354 3.4 13.9 1.0
CHA F:HEM354 3.4 13.7 1.0
CHC F:HEM354 3.4 14.1 1.0
CHB F:HEM354 3.5 13.6 1.0
ND1 F:HIS299 4.1 12.5 1.0
CG F:HIS299 4.1 14.3 1.0
C2A F:HEM354 4.2 13.2 1.0
C3A F:HEM354 4.3 13.2 1.0
C2D F:HEM354 4.3 13.2 1.0
C3C F:HEM354 4.3 13.9 1.0
C2 F:BXO355 4.3 25.9 1.0
C2C F:HEM354 4.3 14.3 1.0
C3B F:HEM354 4.3 14.5 1.0
C3D F:HEM354 4.3 13.5 1.0
C2B F:HEM354 4.3 14.7 1.0
OG F:SER219 4.6 18.9 1.0

Iron binding site 7 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 7 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe354

b:17.5
occ:1.00
FE G:HEM354 0.0 17.5 1.0
NE2 G:HIS299 2.0 18.5 1.0
N1 G:BXO355 2.0 18.9 1.0
NC G:HEM354 2.0 15.6 1.0
ND G:HEM354 2.0 14.9 1.0
NA G:HEM354 2.0 16.3 1.0
NB G:HEM354 2.0 15.9 1.0
O1 G:BXO355 2.9 18.4 1.0
C1 G:BXO355 2.9 20.3 1.0
CE1 G:HIS299 2.9 20.2 1.0
CD2 G:HIS299 3.0 19.2 1.0
C1A G:HEM354 3.0 16.5 1.0
C4D G:HEM354 3.0 15.0 1.0
C4C G:HEM354 3.0 15.1 1.0
C1D G:HEM354 3.0 14.4 1.0
C1C G:HEM354 3.0 15.6 1.0
C4B G:HEM354 3.0 15.9 1.0
C4A G:HEM354 3.1 16.4 1.0
C1B G:HEM354 3.1 16.8 1.0
CHA G:HEM354 3.4 15.7 1.0
CHD G:HEM354 3.4 14.7 1.0
CHC G:HEM354 3.4 15.9 1.0
CHB G:HEM354 3.5 16.4 1.0
ND1 G:HIS299 4.1 19.2 1.0
CG G:HIS299 4.1 19.9 1.0
C3C G:HEM354 4.2 15.2 1.0
C2A G:HEM354 4.2 16.9 1.0
C2C G:HEM354 4.3 15.3 1.0
C3D G:HEM354 4.3 14.2 1.0
C2D G:HEM354 4.3 14.0 1.0
C3B G:HEM354 4.3 16.7 1.0
C3A G:HEM354 4.3 16.9 1.0
C2B G:HEM354 4.3 16.8 1.0
C2 G:BXO355 4.3 20.8 1.0
OG G:SER219 4.8 17.7 1.0

Iron binding site 8 out of 8 in 3a17

Go back to Iron Binding Sites List in 3a17
Iron binding site 8 out of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe354

b:17.0
occ:1.00
FE H:HEM354 0.0 17.0 1.0
N1 H:BXO355 2.0 25.3 1.0
NE2 H:HIS299 2.0 16.4 1.0
NA H:HEM354 2.0 13.6 1.0
ND H:HEM354 2.0 13.1 1.0
NC H:HEM354 2.1 14.4 1.0
NB H:HEM354 2.1 14.1 1.0
C1 H:BXO355 2.8 26.7 1.0
CE1 H:HIS299 2.9 14.6 1.0
O1 H:BXO355 3.0 27.5 1.0
CD2 H:HIS299 3.0 15.1 1.0
C1A H:HEM354 3.0 13.6 1.0
C1D H:HEM354 3.0 13.3 1.0
C4D H:HEM354 3.0 13.8 1.0
C4C H:HEM354 3.1 14.3 1.0
C4A H:HEM354 3.1 12.9 1.0
C4B H:HEM354 3.1 14.9 1.0
C1C H:HEM354 3.1 13.4 1.0
C1B H:HEM354 3.1 14.4 1.0
CHA H:HEM354 3.3 13.7 1.0
CHD H:HEM354 3.4 13.9 1.0
CHC H:HEM354 3.5 14.1 1.0
CHB H:HEM354 3.5 13.5 1.0
ND1 H:HIS299 4.1 12.3 1.0
CG H:HIS299 4.1 14.2 1.0
C2A H:HEM354 4.2 13.2 1.0
C3A H:HEM354 4.2 13.1 1.0
C2D H:HEM354 4.3 13.1 1.0
C3D H:HEM354 4.3 13.4 1.0
C2 H:BXO355 4.3 25.9 1.0
C3C H:HEM354 4.3 13.9 1.0
C2C H:HEM354 4.3 14.2 1.0
C3B H:HEM354 4.3 14.5 1.0
C2B H:HEM354 4.3 14.7 1.0
OG H:SER219 4.7 18.4 1.0

Reference:

H.Sawai, H.Sugimoto, Y.Kato, Y.Asano, Y.Shiro, S.Aono. X-Ray Crystal Structure of Michaelis Complex of Aldoxime Dehydratase J.Biol.Chem. V. 284 32089 2009.
ISSN: ISSN 0021-9258
PubMed: 19740758
DOI: 10.1074/JBC.M109.018762
Page generated: Sun Aug 4 06:38:45 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