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Iron in PDB 1afr: Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds

Enzymatic activity of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds

All present enzymatic activity of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds:
1.14.99.6;

Protein crystallography data

The structure of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds, PDB code: 1afr was solved by Y.Lindqvist, W.Huang, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.200, 147.800, 198.200, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 28.5

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds (pdb code 1afr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds, PDB code: 1afr:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 1afr

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Iron binding site 1 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe364

b:55.9
occ:1.00
OE2 A:GLU143 2.0 49.3 1.0
OE1 A:GLU196 2.2 51.2 1.0
ND1 A:HIS232 2.3 55.2 1.0
OE1 A:GLU229 2.3 47.5 1.0
OE2 A:GLU196 2.5 47.8 1.0
CD A:GLU196 2.7 46.8 1.0
CD A:GLU143 3.1 41.0 1.0
CE1 A:HIS232 3.2 54.2 1.0
CD A:GLU229 3.3 45.3 1.0
CG A:HIS232 3.3 56.3 1.0
O A:HOH383 3.3 35.0 1.0
OE1 A:GLU143 3.6 46.1 1.0
CB A:HIS232 3.7 54.6 1.0
OE2 A:GLU229 3.8 51.3 1.0
NE1 A:TRP139 3.8 29.3 1.0
CA A:GLU229 4.0 41.7 1.0
FE A:FE2365 4.2 46.8 1.0
CG A:GLU196 4.2 44.8 1.0
CG A:GLU143 4.3 35.6 1.0
NE2 A:HIS232 4.4 53.1 1.0
CD2 A:HIS232 4.4 55.6 1.0
CG A:GLU229 4.5 37.2 1.0
CB A:GLU229 4.5 42.4 1.0
CE2 A:TRP139 4.5 27.0 1.0
CZ2 A:TRP139 4.5 31.3 1.0
N A:GLU229 4.7 38.0 1.0
O A:ASP228 4.7 31.6 1.0
O A:GLU229 4.8 45.6 1.0
OG1 A:THR199 4.8 64.0 1.0
CD1 A:TRP139 4.8 27.7 1.0
CE1 A:HIS146 4.8 38.5 1.0
C A:GLU229 4.9 45.2 1.0
CB A:GLU196 5.0 42.2 1.0
C A:ASP228 5.0 35.4 1.0

Iron binding site 2 out of 12 in 1afr

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Iron binding site 2 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe365

b:46.8
occ:1.00
OE1 A:GLU143 2.2 46.1 1.0
ND1 A:HIS146 2.3 41.1 1.0
OE2 A:GLU105 2.4 45.4 1.0
OE2 A:GLU229 2.5 51.3 1.0
OE1 A:GLU105 2.5 35.8 1.0
CD A:GLU105 2.8 41.5 1.0
CE1 A:HIS146 3.1 38.5 1.0
O A:HOH383 3.1 35.0 1.0
CD A:GLU143 3.3 41.0 1.0
CD A:GLU229 3.3 45.3 1.0
CG A:HIS146 3.4 42.2 1.0
OE1 A:GLU229 3.4 47.5 1.0
OE2 A:GLU143 3.7 49.3 1.0
CB A:HIS146 3.8 33.8 1.0
O A:HOH366 4.0 36.9 1.0
FE A:FE2364 4.2 55.9 1.0
CG A:GLU105 4.3 34.0 1.0
NE2 A:HIS146 4.3 36.4 1.0
CD2 A:HIS146 4.4 39.0 1.0
CG A:GLU143 4.5 35.6 1.0
CG2 A:ILE225 4.6 31.6 1.0
CG A:GLU229 4.7 37.2 1.0
NE2 A:HIS203 4.7 47.8 1.0
CB A:GLU143 4.7 36.0 1.0
CA A:GLU143 4.8 32.7 1.0
O A:GLU143 4.8 41.4 1.0

Iron binding site 3 out of 12 in 1afr

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Iron binding site 3 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe454

b:46.3
occ:1.00
OE2 B:GLU143 2.0 50.7 1.0
OE1 B:GLU196 2.2 33.8 1.0
OE1 B:GLU229 2.4 40.2 1.0
ND1 B:HIS232 2.5 54.9 1.0
OE2 B:GLU196 2.5 29.7 1.0
CD B:GLU196 2.7 29.8 1.0
CD B:GLU143 3.1 48.3 1.0
O B:HOH473 3.2 38.5 1.0
CD B:GLU229 3.3 35.7 1.0
CE1 B:HIS232 3.3 53.9 1.0
CG B:HIS232 3.5 52.4 1.0
OE1 B:GLU143 3.6 50.5 1.0
OE2 B:GLU229 3.7 46.0 1.0
CB B:HIS232 3.8 50.5 1.0
NE1 B:TRP139 3.8 27.0 1.0
CA B:GLU229 4.1 37.5 1.0
FE B:FE2455 4.2 48.9 1.0
CG B:GLU196 4.2 33.2 1.0
CG B:GLU143 4.3 42.8 1.0
CG B:GLU229 4.4 26.0 1.0
CB B:GLU229 4.5 37.3 1.0
CE2 B:TRP139 4.5 27.7 1.0
CZ2 B:TRP139 4.5 30.6 1.0
NE2 B:HIS232 4.5 54.6 1.0
CD2 B:HIS232 4.6 50.4 1.0
OG1 B:THR199 4.6 64.7 1.0
N B:GLU229 4.7 34.0 1.0
O B:GLU229 4.7 52.9 1.0
CD1 B:TRP139 4.8 27.4 1.0
CE1 B:HIS146 4.8 35.8 1.0
CB B:GLU196 4.9 35.7 1.0
O B:ASP228 4.9 41.7 1.0
C B:GLU229 5.0 46.6 1.0

Iron binding site 4 out of 12 in 1afr

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Iron binding site 4 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe455

b:48.9
occ:1.00
OE1 B:GLU143 2.2 50.5 1.0
OE2 B:GLU105 2.3 29.1 1.0
ND1 B:HIS146 2.3 41.0 1.0
OE1 B:GLU105 2.4 27.6 1.0
OE2 B:GLU229 2.5 46.0 1.0
CD B:GLU105 2.7 26.5 1.0
O B:HOH473 3.1 38.5 1.0
CE1 B:HIS146 3.2 35.8 1.0
CD B:GLU229 3.3 35.7 1.0
CD B:GLU143 3.4 48.3 1.0
OE1 B:GLU229 3.4 40.2 1.0
CG B:HIS146 3.4 36.9 1.0
OE2 B:GLU143 3.8 50.7 1.0
CB B:HIS146 3.8 29.4 1.0
O B:HOH456 4.0 36.7 1.0
FE B:FE2454 4.2 46.3 1.0
CG B:GLU105 4.2 24.0 1.0
NE2 B:HIS146 4.4 36.7 1.0
CD2 B:HIS146 4.5 32.7 1.0
NE2 B:HIS203 4.6 38.8 1.0
CG2 B:ILE225 4.6 37.0 1.0
CG B:GLU143 4.7 42.8 1.0
CG B:GLU229 4.7 26.0 1.0
CB B:GLU143 4.8 37.2 1.0
O B:GLU143 4.9 40.9 1.0
CA B:GLU143 4.9 33.7 1.0
CD2 B:HIS203 4.9 40.5 1.0
O B:HOH553 5.0 50.0 1.0

Iron binding site 5 out of 12 in 1afr

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Iron binding site 5 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe558

b:65.1
occ:1.00
OE2 C:GLU143 2.0 57.0 1.0
OE1 C:GLU229 2.2 40.5 1.0
OE1 C:GLU196 2.2 47.4 1.0
ND1 C:HIS232 2.4 51.8 1.0
OE2 C:GLU196 2.7 52.4 1.0
CD C:GLU196 2.8 45.2 1.0
CD C:GLU229 3.1 43.0 1.0
CD C:GLU143 3.1 46.1 1.0
O C:HOH577 3.3 49.1 1.0
CE1 C:HIS232 3.3 50.1 1.0
CG C:HIS232 3.5 52.7 1.0
OE2 C:GLU229 3.6 44.4 1.0
OE1 C:GLU143 3.6 40.8 1.0
CB C:HIS232 3.8 52.6 1.0
NE1 C:TRP139 3.9 28.5 1.0
CA C:GLU229 4.0 48.6 1.0
FE C:FE2559 4.1 49.5 1.0
CG C:GLU229 4.3 43.5 1.0
CG C:GLU196 4.3 47.2 1.0
CB C:GLU229 4.4 47.1 1.0
CG C:GLU143 4.4 38.4 1.0
NE2 C:HIS232 4.5 49.8 1.0
CE2 C:TRP139 4.6 28.0 1.0
CZ2 C:TRP139 4.6 31.1 1.0
CD2 C:HIS232 4.6 52.0 1.0
N C:GLU229 4.7 42.7 1.0
OG1 C:THR199 4.7 69.5 1.0
CE1 C:HIS146 4.7 31.5 1.0
O C:GLU229 4.8 55.4 1.0
CD1 C:TRP139 4.9 34.3 1.0
O C:ASP228 4.9 47.4 1.0
C C:GLU229 4.9 53.3 1.0
CB C:GLU196 5.0 52.6 1.0

Iron binding site 6 out of 12 in 1afr

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Iron binding site 6 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe559

b:49.5
occ:1.00
ND1 C:HIS146 2.3 28.8 1.0
OE1 C:GLU143 2.3 40.8 1.0
OE2 C:GLU105 2.3 39.8 1.0
OE2 C:GLU229 2.4 44.4 1.0
OE1 C:GLU105 2.5 36.6 1.0
CD C:GLU105 2.8 38.9 1.0
CE1 C:HIS146 3.1 31.5 1.0
O C:HOH577 3.1 49.1 1.0
CD C:GLU229 3.1 43.0 1.0
OE1 C:GLU229 3.3 40.5 1.0
CD C:GLU143 3.4 46.1 1.0
CG C:HIS146 3.4 26.3 1.0
OE2 C:GLU143 3.7 57.0 1.0
CB C:HIS146 3.8 22.7 1.0
FE C:FE2558 4.1 65.1 1.0
O C:HOH560 4.1 39.8 1.0
NE2 C:HIS146 4.3 29.0 1.0
CG C:GLU105 4.3 31.9 1.0
O C:HOH641 4.4 45.5 1.0
CD2 C:HIS146 4.5 24.8 1.0
CG C:GLU229 4.5 43.5 1.0
NE2 C:HIS203 4.5 30.9 1.0
CG2 C:ILE225 4.6 35.5 1.0
CG C:GLU143 4.7 38.4 1.0
CD2 C:HIS203 4.9 37.7 1.0
CB C:GLU143 4.9 39.0 1.0
CA C:GLU143 5.0 33.1 1.0

Iron binding site 7 out of 12 in 1afr

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Iron binding site 7 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe648

b:50.6
occ:1.00
OE1 D:GLU196 2.1 41.0 1.0
OE2 D:GLU143 2.1 41.3 1.0
OE1 D:GLU229 2.2 44.2 1.0
ND1 D:HIS232 2.5 44.5 1.0
OE2 D:GLU196 2.5 47.8 1.0
CD D:GLU196 2.6 44.1 1.0
CD D:GLU229 3.1 43.3 1.0
O D:HOH667 3.2 30.7 1.0
CD D:GLU143 3.2 39.8 1.0
CE1 D:HIS232 3.4 39.8 1.0
CG D:HIS232 3.5 42.9 1.0
OE2 D:GLU229 3.6 49.1 1.0
OE1 D:GLU143 3.7 42.3 1.0
CB D:HIS232 3.8 43.5 1.0
CA D:GLU229 4.0 45.0 1.0
NE1 D:TRP139 4.0 25.4 1.0
CG D:GLU196 4.2 39.8 1.0
FE D:FE2649 4.2 39.4 1.0
CG D:GLU229 4.3 43.9 1.0
CB D:GLU229 4.3 46.4 1.0
CG D:GLU143 4.5 33.4 1.0
OG1 D:THR199 4.5 72.5 1.0
NE2 D:HIS232 4.6 33.7 1.0
CD2 D:HIS232 4.6 40.8 1.0
CE2 D:TRP139 4.6 29.5 1.0
CZ2 D:TRP139 4.6 36.3 1.0
N D:GLU229 4.7 34.6 1.0
O D:GLU229 4.7 49.6 1.0
CB D:GLU196 4.9 31.8 1.0
C D:GLU229 4.9 46.6 1.0
CE1 D:HIS146 4.9 34.0 1.0
O D:ASP228 4.9 41.1 1.0
CD1 D:TRP139 5.0 23.1 1.0

Iron binding site 8 out of 12 in 1afr

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Iron binding site 8 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe649

b:39.4
occ:1.00
OE2 D:GLU105 2.3 36.4 1.0
OE1 D:GLU143 2.3 42.3 1.0
ND1 D:HIS146 2.4 38.7 1.0
OE1 D:GLU105 2.4 33.6 1.0
OE2 D:GLU229 2.4 49.1 1.0
CD D:GLU105 2.7 36.8 1.0
O D:HOH667 2.8 30.7 1.0
CE1 D:HIS146 3.3 34.0 1.0
CD D:GLU229 3.3 43.3 1.0
CD D:GLU143 3.4 39.8 1.0
OE1 D:GLU229 3.4 44.2 1.0
CG D:HIS146 3.5 35.1 1.0
OE2 D:GLU143 3.8 41.3 1.0
CB D:HIS146 3.9 29.3 1.0
O D:HOH650 4.0 35.8 1.0
CG D:GLU105 4.2 31.5 1.0
FE D:FE2648 4.2 50.6 1.0
NE2 D:HIS146 4.5 32.6 1.0
NE2 D:HIS203 4.5 32.2 1.0
CD2 D:HIS146 4.6 29.1 1.0
CG D:GLU229 4.6 43.9 1.0
CG D:GLU143 4.7 33.4 1.0
CG2 D:ILE225 4.7 32.9 1.0
CB D:GLU143 4.9 34.9 1.0
CD2 D:HIS203 4.9 32.5 1.0
O D:HOH743 4.9 49.2 1.0
O D:GLU143 4.9 33.1 1.0
CA D:GLU143 5.0 31.0 1.0

Iron binding site 9 out of 12 in 1afr

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Iron binding site 9 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe750

b:58.9
occ:1.00
OE2 E:GLU143 2.1 53.1 1.0
OE1 E:GLU196 2.2 46.7 1.0
OE1 E:GLU229 2.3 50.0 1.0
OE2 E:GLU196 2.4 52.4 1.0
ND1 E:HIS232 2.5 56.7 1.0
CD E:GLU196 2.6 44.8 1.0
CD E:GLU143 3.2 43.6 1.0
O E:HOH769 3.2 40.6 1.0
CD E:GLU229 3.2 53.4 1.0
CE1 E:HIS232 3.4 56.2 1.0
CG E:HIS232 3.5 53.3 1.0
OE2 E:GLU229 3.6 58.2 1.0
OE1 E:GLU143 3.7 48.1 1.0
CB E:HIS232 3.9 48.5 1.0
NE1 E:TRP139 3.9 26.6 1.0
FE E:FE2751 4.1 56.9 1.0
CG E:GLU196 4.2 42.8 1.0
CA E:GLU229 4.2 45.9 1.0
CG E:GLU143 4.4 37.9 1.0
CG E:GLU229 4.4 47.3 1.0
CB E:GLU229 4.5 46.0 1.0
CZ2 E:TRP139 4.5 25.2 1.0
CE2 E:TRP139 4.5 25.2 1.0
NE2 E:HIS232 4.6 55.5 1.0
OG1 E:THR199 4.6 64.8 1.0
CD2 E:HIS232 4.7 54.7 1.0
N E:GLU229 4.8 40.8 1.0
CE1 E:HIS146 4.9 36.7 1.0
O E:GLU229 4.9 51.2 1.0
CB E:GLU196 4.9 40.7 1.0
CD1 E:TRP139 4.9 30.5 1.0

Iron binding site 10 out of 12 in 1afr

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Iron binding site 10 out of 12 in the Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Stearoyl-Acyl Carrier Protein Desaturase From Castor Seeds within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe751

b:56.9
occ:1.00
OE1 E:GLU143 2.2 48.1 1.0
ND1 E:HIS146 2.3 37.9 1.0
OE2 E:GLU105 2.3 54.8 1.0
OE1 E:GLU105 2.4 41.6 1.0
OE2 E:GLU229 2.6 58.2 1.0
CD E:GLU105 2.7 46.9 1.0
O E:HOH769 2.9 40.6 1.0
CE1 E:HIS146 3.2 36.7 1.0
CD E:GLU143 3.3 43.6 1.0
CD E:GLU229 3.4 53.4 1.0
CG E:HIS146 3.4 30.9 1.0
OE1 E:GLU229 3.5 50.0 1.0
OE2 E:GLU143 3.7 53.1 1.0
O E:HOH752 3.8 51.5 1.0
CB E:HIS146 3.8 31.7 1.0
FE E:FE2750 4.1 58.9 1.0
CG E:GLU105 4.2 40.6 1.0
NE2 E:HIS146 4.4 34.4 1.0
CD2 E:HIS146 4.5 27.0 1.0
CG E:GLU143 4.6 37.9 1.0
NE2 E:HIS203 4.7 49.6 1.0
CG2 E:ILE225 4.7 33.3 1.0
CG E:GLU229 4.7 47.3 1.0
CB E:GLU143 4.8 35.6 1.0
O E:GLU143 4.9 42.4 1.0
CA E:GLU143 4.9 38.1 1.0

Reference:

Y.Lindqvist, W.Huang, G.Schneider, J.Shanklin. Crystal Structure of DELTA9 Stearoyl-Acyl Carrier Protein Desaturase From Castor Seed and Its Relationship to Other Di-Iron Proteins. Embo J. V. 15 4081 1996.
ISSN: ISSN 0261-4189
PubMed: 8861937
Page generated: Sun Dec 13 14:03:52 2020

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