Atomistry » Iron » PDB 4n4j-4nji » 4nbe
Atomistry »
  Iron »
    PDB 4n4j-4nji »
      4nbe »

Iron in PDB 4nbe: Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)

Enzymatic activity of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)

All present enzymatic activity of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2):
1.14.12.22;

Protein crystallography data

The structure of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2), PDB code: 4nbe was solved by Y.Ashikawa, Y.Usami, K.Inoue, H.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.75 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 98.455, 88.264, 108.621, 90.00, 106.72, 90.00
R / Rfree (%) 21.7 / 25.2

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iron atom in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) (pdb code 4nbe). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 13 binding sites of Iron where determined in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2), PDB code: 4nbe:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 1 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:43.4
occ:1.00
 O A:HOH823 1.8 53.7 1.0
OD1 A:ASP333 2.0 35.5 1.0
NE2 A:HIS183 2.1 37.1 1.0
NE2 A:HIS187 2.2 37.0 1.0
CG A:ASP333 2.6 34.1 1.0
OD2 A:ASP333 2.6 37.0 1.0
CD2 A:HIS183 3.0 36.6 1.0
CE1 A:HIS183 3.2 37.2 1.0
CE1 A:HIS187 3.2 35.6 1.0
CD2 A:HIS187 3.2 36.5 1.0
CB A:ASP333 4.0 32.9 1.0
C4 A:9FL503 4.1 52.3 1.0
CG A:HIS183 4.2 36.1 1.0
C3 A:9FL503 4.2 51.0 1.0
ND1 A:HIS183 4.2 36.7 1.0
ND2 A:ASN177 4.3 31.5 1.0
ND1 A:HIS187 4.3 36.8 1.0
CG A:HIS187 4.4 36.5 1.0
CE2 A:PHE329 4.4 37.8 1.0
O A:HOH648 4.4 32.4 1.0
C4A A:9FL503 4.5 53.5 1.0
C2 A:9FL503 4.6 51.7 1.0
CD1 A:ILE186 4.6 34.4 1.0
ND2 A:ASN330 4.6 37.1 1.0
CA A:ASP333 4.8 32.5 1.0
C9A A:9FL503 4.9 52.9 1.0
C1 A:9FL503 4.9 52.6 1.0

Iron binding site 2 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 2 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:32.3
occ:1.00
 FE1 A:FES502 0.0 32.3 1.0
S1 A:FES502 2.2 27.3 1.0
S2 A:FES502 2.2 27.9 1.0
SG A:CYS90 2.3 27.7 1.0
SG A:CYS69 2.4 31.8 1.0
FE2 A:FES502 2.8 31.2 1.0
CB A:CYS90 3.1 27.4 1.0
CB A:CYS69 3.2 29.5 1.0
CB A:HIS71 4.1 27.4 1.0
CB A:TYR92 4.1 33.1 1.0
CG2 A:VAL74 4.2 21.9 1.0
N A:HIS93 4.4 31.2 1.0
ND1 A:HIS93 4.5 27.9 1.0
ND1 A:HIS71 4.6 27.8 1.0
CA A:CYS90 4.6 28.9 1.0
CA A:CYS69 4.6 29.8 1.0
CB A:TRP95 4.8 28.6 1.0
CG A:HIS71 4.8 27.9 1.0
N A:ARG72 4.8 29.7 1.0
N A:TYR92 4.9 31.6 1.0
CA A:TYR92 4.9 31.1 1.0
CD2 A:LEU76 5.0 36.9 1.0
CG A:TRP95 5.0 29.3 1.0

Iron binding site 3 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 3 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:31.2
occ:1.00
 FE2 A:FES502 0.0 31.2 1.0
ND1 A:HIS71 2.1 27.8 1.0
ND1 A:HIS93 2.2 27.9 1.0
S2 A:FES502 2.2 27.9 1.0
S1 A:FES502 2.3 27.3 1.0
FE1 A:FES502 2.8 32.3 1.0
CG A:HIS93 3.0 28.8 1.0
CG A:HIS71 3.0 27.9 1.0
CE1 A:HIS93 3.2 29.8 1.0
CE1 A:HIS71 3.2 29.1 1.0
CB A:HIS71 3.2 27.4 1.0
CB A:HIS93 3.3 29.5 1.0
N A:HIS93 3.7 31.2 1.0
CB A:TYR92 4.0 33.1 1.0
CA A:HIS93 4.1 29.2 1.0
CD2 A:HIS93 4.1 29.1 1.0
NE2 A:HIS93 4.2 26.4 1.0
CD2 A:HIS71 4.2 27.6 1.0
CG A:ARG72 4.2 32.4 1.0
NE2 A:HIS71 4.3 28.8 1.0
N A:ARG72 4.3 29.7 1.0
CG A:TYR92 4.4 35.8 1.0
SG A:CYS69 4.4 31.8 1.0
CD2 A:TYR92 4.5 35.7 1.0
CA A:HIS71 4.6 27.9 1.0
C A:TYR92 4.6 32.1 1.0
SG A:CYS90 4.7 27.7 1.0
CD1 A:TRP95 4.7 30.6 1.0
CB A:ARG72 4.7 31.0 1.0
NE1 A:TRP95 4.8 28.4 1.0
C A:HIS71 4.8 29.5 1.0
C A:HIS93 4.9 28.6 1.0
CA A:TYR92 4.9 31.1 1.0

Iron binding site 4 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 4 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:61.5
occ:1.00
 O B:HOH610 1.9 65.8 1.0
OD1 B:ASP333 2.1 51.4 1.0
NE2 B:HIS183 2.2 43.1 1.0
NE2 B:HIS187 2.3 44.5 1.0
OD2 B:ASP333 2.8 50.4 1.0
CG B:ASP333 2.8 48.8 1.0
CD2 B:HIS183 3.0 42.3 1.0
CD2 B:HIS187 3.2 44.8 1.0
CE1 B:HIS183 3.4 41.6 1.0
CE1 B:HIS187 3.4 45.6 1.0
O B:HOH735 4.1 66.9 1.0
CG B:HIS183 4.2 42.4 1.0
CB B:ASP333 4.2 46.5 1.0
ND1 B:HIS183 4.4 42.4 1.0
CG B:HIS187 4.4 45.2 1.0
ND1 B:HIS187 4.5 45.5 1.0
ND2 B:ASN330 4.5 50.1 1.0
CE2 B:PHE329 4.5 45.8 1.0
O B:HOH726 4.6 69.1 1.0
O B:HOH685 4.6 44.8 1.0
CD1 B:ILE186 4.6 43.8 1.0
ND2 B:ASN177 4.7 51.3 1.0
O B:HOH727 4.7 74.4 1.0

Iron binding site 5 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 5 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe502

b:33.0
occ:1.00
 FE1 B:FES502 0.0 33.0 1.0
S1 B:FES502 2.2 43.3 1.0
SG B:CYS90 2.2 33.1 1.0
S2 B:FES502 2.3 37.8 1.0
SG B:CYS69 2.3 33.7 1.0
FE2 B:FES502 2.9 30.3 1.0
CB B:CYS90 3.1 34.5 1.0
CB B:CYS69 3.1 31.5 1.0
CB B:TYR92 4.0 30.4 1.0
CG2 B:VAL74 4.1 29.6 1.0
CB B:HIS71 4.2 29.1 1.0
N B:HIS93 4.5 32.2 1.0
CA B:CYS90 4.6 33.1 1.0
CA B:CYS69 4.6 30.6 1.0
ND1 B:HIS93 4.6 36.5 1.0
CB B:TRP95 4.6 36.0 1.0
ND1 B:HIS71 4.7 29.6 1.0
N B:TYR92 4.8 31.2 1.0
CG B:TRP95 4.9 36.5 1.0
CA B:TYR92 4.9 31.7 1.0
CG B:HIS71 4.9 31.4 1.0
N B:ARG72 4.9 31.6 1.0
CD2 B:LEU76 4.9 38.6 1.0
N B:TRP95 5.0 35.7 1.0

Iron binding site 6 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 6 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe502

b:30.3
occ:1.00
 FE2 B:FES502 0.0 30.3 1.0
ND1 B:HIS93 2.1 36.5 1.0
ND1 B:HIS71 2.2 29.6 1.0
S2 B:FES502 2.2 37.8 1.0
S1 B:FES502 2.3 43.3 1.0
FE1 B:FES502 2.9 33.0 1.0
CE1 B:HIS93 3.0 32.5 1.0
CG B:HIS93 3.0 34.3 1.0
CG B:HIS71 3.1 31.4 1.0
CE1 B:HIS71 3.2 29.0 1.0
CB B:HIS71 3.3 29.1 1.0
CB B:HIS93 3.4 31.9 1.0
N B:HIS93 3.7 32.2 1.0
CB B:TYR92 3.8 30.4 1.0
NE2 B:HIS93 4.1 34.9 1.0
CG B:ARG72 4.1 34.4 1.0
CA B:HIS93 4.1 32.4 1.0
CD2 B:HIS93 4.1 34.2 1.0
CG B:TYR92 4.2 30.4 1.0
CD2 B:HIS71 4.2 28.2 1.0
NE2 B:HIS71 4.3 29.6 1.0
N B:ARG72 4.3 31.6 1.0
CD2 B:TYR92 4.3 29.5 1.0
SG B:CYS69 4.4 33.7 1.0
C B:TYR92 4.6 32.0 1.0
SG B:CYS90 4.6 33.1 1.0
CD1 B:TRP95 4.6 35.5 1.0
CA B:HIS71 4.6 31.0 1.0
CB B:ARG72 4.6 33.2 1.0
NE1 B:TRP95 4.8 35.2 1.0
CA B:TYR92 4.8 31.7 1.0
C B:HIS71 4.9 31.3 1.0
C B:HIS93 4.9 32.8 1.0
CG B:TRP95 5.0 36.5 1.0

Iron binding site 7 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 7 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:42.3
occ:1.00
 OD1 C:ASP333 1.8 32.3 1.0
O C:HOH748 1.9 35.0 1.0
NE2 C:HIS187 2.3 32.4 1.0
OD2 C:ASP333 2.3 33.5 1.0
NE2 C:HIS183 2.3 31.3 1.0
CG C:ASP333 2.3 32.5 1.0
CD2 C:HIS183 3.0 26.8 1.0
CD2 C:HIS187 3.2 27.8 1.0
CE1 C:HIS187 3.2 31.4 1.0
CE1 C:HIS183 3.5 30.0 1.0
CB C:ASP333 3.8 29.9 1.0
ND2 C:ASN177 4.0 33.8 1.0
CG C:HIS183 4.2 30.2 1.0
O C:HOH654 4.3 32.7 1.0
ND2 C:ASN330 4.3 36.6 1.0
ND1 C:HIS187 4.3 30.8 1.0
CG C:HIS187 4.4 30.9 1.0
CD1 C:ILE186 4.4 36.4 1.0
ND1 C:HIS183 4.4 29.8 1.0
C4 C:9FL503 4.5 42.6 1.0
CA C:ASP333 4.6 33.1 1.0
C3 C:9FL503 4.7 42.3 1.0
CE2 C:PHE329 4.7 34.3 1.0
CG C:ASN177 4.8 35.4 1.0
OD1 C:ASN177 4.8 32.8 1.0
C4A C:9FL503 4.9 44.2 1.0
O C:ASN177 4.9 37.7 1.0
N C:ASP333 5.0 32.1 1.0
CG1 C:ILE186 5.0 36.5 1.0

Iron binding site 8 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 8 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe502

b:36.0
occ:1.00
 FE1 C:FES502 0.0 36.0 1.0
S2 C:FES502 2.2 35.6 1.0
SG C:CYS90 2.2 35.5 1.0
SG C:CYS69 2.3 38.6 1.0
S1 C:FES502 2.3 42.0 1.0
FE2 C:FES502 2.8 37.3 1.0
CB C:CYS90 3.1 37.0 1.0
CB C:CYS69 3.1 35.2 1.0
CB C:HIS71 4.0 31.7 1.0
CB C:TYR92 4.1 36.7 1.0
CG2 C:VAL74 4.2 38.7 1.0
ND1 C:HIS71 4.4 29.2 1.0
N C:HIS93 4.5 41.0 1.0
CA C:CYS90 4.5 38.3 1.0
CA C:CYS69 4.6 34.2 1.0
ND1 C:HIS93 4.7 45.0 1.0
CG C:HIS71 4.7 31.9 1.0
N C:TYR92 4.8 37.7 1.0
CB C:TRP95 4.8 37.0 1.0
CD2 C:LEU76 4.9 42.3 1.0
N C:ARG72 4.9 36.0 1.0
CA C:TYR92 5.0 38.3 1.0

Iron binding site 9 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 9 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe502

b:37.3
occ:1.00
 FE2 C:FES502 0.0 37.3 1.0
ND1 C:HIS71 2.0 29.2 1.0
S1 C:FES502 2.1 42.0 1.0
S2 C:FES502 2.3 35.6 1.0
ND1 C:HIS93 2.4 45.0 1.0
FE1 C:FES502 2.8 36.0 1.0
CG C:HIS71 2.9 31.9 1.0
CE1 C:HIS71 3.0 32.8 1.0
CG C:HIS93 3.1 43.5 1.0
CB C:HIS71 3.2 31.7 1.0
CB C:HIS93 3.3 41.9 1.0
CE1 C:HIS93 3.4 44.3 1.0
N C:HIS93 3.7 41.0 1.0
CB C:TYR92 4.0 36.7 1.0
CD2 C:HIS71 4.1 30.7 1.0
CA C:HIS93 4.1 41.0 1.0
NE2 C:HIS71 4.1 29.5 1.0
CD2 C:HIS93 4.2 44.8 1.0
SG C:CYS69 4.3 38.6 1.0
CG C:ARG72 4.3 41.0 1.0
NE2 C:HIS93 4.3 44.1 1.0
N C:ARG72 4.3 36.0 1.0
CG C:TYR92 4.4 37.1 1.0
CD2 C:TYR92 4.4 36.7 1.0
CD1 C:TRP95 4.6 35.4 1.0
SG C:CYS90 4.6 35.5 1.0
CA C:HIS71 4.6 34.4 1.0
C C:TYR92 4.6 39.4 1.0
NE1 C:TRP95 4.6 33.4 1.0
CB C:ARG72 4.8 38.1 1.0
C C:HIS93 4.9 41.1 1.0
C C:HIS71 4.9 35.0 1.0
CA C:TYR92 4.9 38.3 1.0
CG C:TRP95 5.0 34.2 1.0

Iron binding site 10 out of 13 in 4nbe

Go back to Iron Binding Sites List in 4nbe
Iron binding site 10 out of 13 in the Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Fluorene-Bound Oxygenase with PHE275 Replaced By Trp and Ferredoxin Complex of Carbazole 1,9A-Dioxygenase (FORM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:40.8
occ:1.00
 FE1 D:FES201 0.0 40.8 1.0
ND1 D:HIS48 2.1 40.0 1.0
S1 D:FES201 2.2 34.4 1.0
S2 D:FES201 2.3 38.8 1.0
ND1 D:HIS68 2.3 37.0 1.0
FE2 D:FES201 2.7 37.8 1.0
CE1 D:HIS48 3.1 40.6 1.0
CG D:HIS48 3.1 41.9 1.0
CE1 D:HIS68 3.2 36.1 1.0
CG D:HIS68 3.3 36.1 1.0
CB D:HIS48 3.5 41.2 1.0
CB D:HIS68 3.6 38.1 1.0
O A:HOH605 3.8 30.8 1.0
N D:HIS68 4.2 39.5 1.0
C D:HIS48 4.2 42.2 1.0
NE2 D:HIS48 4.2 41.0 1.0
CD2 D:HIS48 4.2 41.4 1.0
O D:HIS48 4.3 44.2 1.0
NE2 D:HIS68 4.4 36.0 1.0
CB D:PHE67 4.4 39.5 1.0
CD2 D:HIS68 4.4 36.1 1.0
N D:GLY49 4.4 42.2 1.0
CA D:HIS48 4.4 41.8 1.0
SG D:CYS65 4.5 37.3 1.0
CA D:HIS68 4.5 39.6 1.0
CG D:PRO83 4.5 41.6 1.0
SG D:CYS46 4.5 39.8 1.0
O A:VAL351 4.8 36.5 1.0
CA D:GLY49 4.9 41.0 1.0
O A:GLU353 4.9 33.7 1.0

Reference:

K.Inoue, Y.Usami, Y.Ashikawa, H.Noguchi, T.Umeda, A.Yamagami-Ashikawa, T.Horisaki, H.Uchimura, T.Terada, S.Nakamura, K.Shimizu, H.Habe, H.Yamane, Z.Fujimoto, H.Nojiri. Structural Basis of the Divergent Oxygenation Reactions Catalyzed By the Rieske Non-Heme Iron Oxygenase, Carbazole 1,9A-Dioxygenase Appl.Environ.Microbiol. 2014.
ISSN: ESSN 1098-5336
PubMed: 24584240
DOI: 10.1128/AEM.04000-13
Page generated: Mon Aug 5 07:23:40 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