Atomistry » Iron » PDB 1wa6-1x71 » 1ww9
Atomistry »
  Iron »
    PDB 1wa6-1x71 »
      1ww9 »

Iron in PDB 1ww9: Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin

Protein crystallography data

The structure of Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin, PDB code: 1ww9 was solved by H.Nojiri, Y.Ashikawa, H.Noguchi, J.-W.Nam, M.Urata, Z.Fujimoto, H.Mizuno, T.Yoshida, H.Habe, T.Omori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.94 / 1.95
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 131.914, 131.914, 131.914, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 20.5

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin (pdb code 1ww9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin, PDB code: 1ww9:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 1ww9

Go back to Iron Binding Sites List in 1ww9
Iron binding site 1 out of 3 in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin


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 the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:27.5
occ:1.00
O A:HOH631 1.9 31.6 1.0
OD1 A:ASP333 2.0 25.3 1.0
NE2 A:HIS187 2.0 26.0 1.0
NE2 A:HIS183 2.1 27.4 1.0
CG A:ASP333 2.6 27.4 1.0
OD2 A:ASP333 2.6 26.7 1.0
CE1 A:HIS187 2.9 27.2 1.0
CD2 A:HIS183 2.9 26.1 1.0
CD2 A:HIS187 3.1 24.0 1.0
CE1 A:HIS183 3.2 26.6 1.0
O A:HOH747 3.9 55.0 1.0
CB A:ASP333 4.1 24.9 1.0
ND1 A:HIS187 4.1 27.6 1.0
O A:HOH633 4.1 35.3 1.0
CG A:HIS183 4.1 25.3 1.0
ND2 A:ASN177 4.2 24.7 1.0
CG A:HIS187 4.2 24.4 1.0
ND1 A:HIS183 4.2 23.9 1.0
O A:HOH521 4.4 26.2 1.0
CE2 A:PHE329 4.5 27.9 1.0
CD1 A:ILE186 4.5 24.1 1.0
ND2 A:ASN330 4.5 27.1 1.0
O A:HOH644 4.8 47.6 1.0
CA A:ASP333 4.8 24.2 1.0
O A:ASN177 4.9 26.9 1.0
CG1 A:ILE186 4.9 21.9 1.0

Iron binding site 2 out of 3 in 1ww9

Go back to Iron Binding Sites List in 1ww9
Iron binding site 2 out of 3 in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin


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 the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:21.5
occ:1.00
FE1 A:FES401 0.0 21.5 1.0
S2 A:FES401 2.2 21.2 1.0
S1 A:FES401 2.3 21.0 1.0
SG A:CYS90 2.3 20.7 1.0
SG A:CYS69 2.3 23.6 1.0
FE2 A:FES401 2.7 22.5 1.0
CB A:CYS90 3.1 21.9 1.0
CB A:CYS69 3.2 21.8 1.0
CB A:HIS71 4.0 22.9 1.0
CB A:TYR92 4.1 21.1 1.0
CG2 A:VAL74 4.2 22.0 1.0
N A:HIS93 4.4 21.1 1.0
ND1 A:HIS93 4.5 20.1 1.0
ND1 A:HIS71 4.5 20.4 1.0
CA A:CYS90 4.6 21.9 1.0
CA A:CYS69 4.6 22.6 1.0
CB A:TRP95 4.8 17.5 1.0
CG A:HIS71 4.8 21.4 1.0
N A:TYR92 4.8 21.1 1.0
N A:ARG72 4.9 19.6 1.0
CA A:TYR92 4.9 20.1 1.0
CG A:TRP95 4.9 18.1 1.0

Iron binding site 3 out of 3 in 1ww9

Go back to Iron Binding Sites List in 1ww9
Iron binding site 3 out of 3 in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin


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 the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:22.5
occ:1.00
FE2 A:FES401 0.0 22.5 1.0
ND1 A:HIS93 2.1 20.1 1.0
ND1 A:HIS71 2.1 20.4 1.0
S1 A:FES401 2.3 21.0 1.0
S2 A:FES401 2.3 21.2 1.0
FE1 A:FES401 2.7 21.5 1.0
CG A:HIS71 3.0 21.4 1.0
CE1 A:HIS93 3.1 22.2 1.0
CG A:HIS93 3.1 21.5 1.0
CE1 A:HIS71 3.2 23.1 1.0
CB A:HIS71 3.2 22.9 1.0
CB A:HIS93 3.4 22.0 1.0
N A:HIS93 3.7 21.1 1.0
CB A:TYR92 3.9 21.1 1.0
CA A:HIS93 4.1 22.7 1.0
NE2 A:HIS93 4.1 20.9 1.0
CD2 A:HIS93 4.2 22.3 1.0
CD2 A:HIS71 4.2 20.0 1.0
NE2 A:HIS71 4.3 21.1 1.0
SG A:CYS69 4.3 23.6 1.0
CG A:TYR92 4.3 23.1 1.0
CG A:ARG72 4.4 23.0 1.0
N A:ARG72 4.4 19.6 1.0
CD2 A:TYR92 4.4 22.0 1.0
CD1 A:TRP95 4.5 18.4 1.0
C A:TYR92 4.5 22.9 1.0
SG A:CYS90 4.6 20.7 1.0
NE1 A:TRP95 4.6 19.8 1.0
CA A:HIS71 4.6 21.6 1.0
CB A:ARG72 4.8 20.9 1.0
CA A:TYR92 4.8 20.1 1.0
C A:HIS93 4.9 22.2 1.0
C A:HIS71 4.9 22.9 1.0
CG A:TRP95 4.9 18.1 1.0

Reference:

H.Nojiri, Y.Ashikawa, H.Noguchi, J.-W.Nam, M.Urata, Z.Fujimoto, H.Uchimura, T.Terada, S.Nakamura, K.Shimizu, T.Yoshida, H.Habe, T.Omori. Structure of the Terminal Oxygenase Component of Angular Dioxygenase, Carbazole 1,9A-Dioxygenase J.Mol.Biol. V. 351 355 2005.
ISSN: ISSN 0022-2836
PubMed: 16005887
DOI: 10.1016/J.JMB.2005.05.059
Page generated: Sun Dec 13 14:35:26 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