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Iron in PDB 2j2f: The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)

Enzymatic activity of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)

All present enzymatic activity of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean):
1.14.99.6;

Protein crystallography data

The structure of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean), PDB code: 2j2f was solved by J.E.Guy, I.A.Abreu, M.Moche, Y.Lindqvist, E.Whittle, J.Shanklin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.049, 145.768, 193.245, 90.00, 90.00, 90.00
R / Rfree (%) 24 / 27.2

Iron Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iron atom in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) (pdb code 2j2f). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean), PDB code: 2j2f:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 2j2f

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Iron binding site 1 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe370

b:49.0
occ:1.00
 OE1 A:GLU143 2.2 34.7 1.0
OE2 A:GLU229 2.2 32.1 1.0
OE1 A:GLU105 2.3 34.9 1.0
ND1 A:HIS146 2.4 32.9 1.0
OE2 A:GLU105 2.5 32.9 1.0
CD A:GLU105 2.7 33.9 1.0
O A:HOH2010 3.0 34.6 1.0
CD A:GLU143 3.1 32.8 1.0
CE1 A:HIS146 3.1 33.0 1.0
OE2 A:GLU143 3.2 33.0 1.0
O A:HOH2016 3.3 31.6 1.0
CD A:GLU229 3.4 32.7 1.0
CG A:HIS146 3.5 33.0 1.0
OE1 A:GLU229 3.9 34.6 1.0
CB A:HIS146 4.0 32.5 1.0
FE A:FE371 4.0 50.4 1.0
CG A:GLU105 4.3 32.6 1.0
NE2 A:HIS146 4.3 31.8 1.0
CG A:GLU143 4.5 33.3 1.0
CG2 A:ILE225 4.5 32.5 1.0
CD2 A:HIS146 4.5 33.2 1.0
CG A:GLU229 4.6 32.4 1.0
NE2 A:HIS203 4.6 33.0 1.0
CB A:GLU143 4.9 32.6 1.0
CA A:GLU143 5.0 32.3 1.0
CD2 A:HIS203 5.0 34.1 1.0

Iron binding site 2 out of 12 in 2j2f

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Iron binding site 2 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe371

b:50.4
occ:1.00
 OE2 A:GLU143 2.0 33.0 1.0
OE1 A:GLU196 2.2 33.5 1.0
OE1 A:GLU229 2.3 34.6 1.0
O A:HOH2016 2.3 31.6 1.0
ND1 A:HIS232 2.5 32.5 1.0
OE2 A:GLU196 2.6 33.8 1.0
CD A:GLU196 2.7 33.0 1.0
CD A:GLU229 3.0 32.7 1.0
OE2 A:GLU229 3.2 32.1 1.0
CD A:GLU143 3.3 32.8 1.0
CE1 A:HIS232 3.4 33.6 1.0
CG A:HIS232 3.6 33.0 1.0
NE1 A:TRP139 3.7 32.1 1.0
CB A:HIS232 3.9 32.7 1.0
O A:HOH2010 3.9 34.6 1.0
OE1 A:GLU143 4.0 34.7 1.0
FE A:FE370 4.0 49.0 1.0
CG A:GLU196 4.2 33.0 1.0
CZ2 A:TRP139 4.2 32.7 1.0
CE2 A:TRP139 4.3 32.4 1.0
CG A:GLU143 4.3 33.3 1.0
CG A:GLU229 4.3 32.4 1.0
CA A:GLU229 4.3 32.6 1.0
OD2 A:ASP199 4.5 34.6 1.0
NE2 A:HIS232 4.6 32.3 1.0
CB A:GLU229 4.6 32.6 1.0
CD2 A:HIS232 4.7 32.2 1.0
CD1 A:TRP139 4.7 32.3 1.0
CE1 A:HIS146 4.9 33.0 1.0
CB A:GLU196 4.9 32.4 1.0
O A:ASP228 4.9 32.1 1.0

Iron binding site 3 out of 12 in 2j2f

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Iron binding site 3 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe370

b:48.6
occ:1.00
 OE2 B:GLU229 2.2 31.2 1.0
OE2 B:GLU105 2.2 32.7 1.0
ND1 B:HIS146 2.3 33.2 1.0
OE1 B:GLU143 2.4 34.3 1.0
OE1 B:GLU105 2.4 34.6 1.0
CD B:GLU105 2.6 33.6 1.0
O B:HOH2019 3.0 34.7 1.0
CE1 B:HIS146 3.1 33.0 1.0
CD B:GLU143 3.3 32.8 1.0
CD B:GLU229 3.3 32.5 1.0
CG B:HIS146 3.4 32.7 1.0
OE2 B:GLU143 3.4 33.0 1.0
O B:HOH2032 3.5 31.1 1.0
CB B:HIS146 3.9 32.7 1.0
OE1 B:GLU229 3.9 35.0 1.0
CG B:GLU105 4.1 32.5 1.0
CG2 B:ILE225 4.2 32.1 1.0
NE2 B:HIS146 4.3 31.9 1.0
NE2 B:HIS203 4.3 32.9 1.0
FE B:FE371 4.4 49.7 1.0
O B:HOH2013 4.4 14.8 1.0
CD2 B:HIS146 4.5 33.3 1.0
CG B:GLU229 4.5 32.4 1.0
CG B:GLU143 4.7 33.7 1.0
CD2 B:HIS203 4.8 34.2 1.0

Iron binding site 4 out of 12 in 2j2f

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Iron binding site 4 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe371

b:49.7
occ:1.00
 OE1 B:GLU196 2.1 33.6 1.0
OE2 B:GLU143 2.1 33.0 1.0
OE2 B:GLU196 2.4 34.1 1.0
O B:HOH2032 2.4 31.1 1.0
OE1 B:GLU229 2.4 35.0 1.0
ND1 B:HIS232 2.5 32.5 1.0
CD B:GLU196 2.6 33.1 1.0
CD B:GLU229 3.3 32.5 1.0
CD B:GLU143 3.4 32.8 1.0
CE1 B:HIS232 3.4 33.7 1.0
CG B:HIS232 3.5 32.9 1.0
NE1 B:TRP139 3.5 31.9 1.0
OE2 B:GLU229 3.6 31.2 1.0
CB B:HIS232 3.8 32.7 1.0
O B:HOH2019 3.9 34.7 1.0
OE1 B:GLU143 4.1 34.3 1.0
CG B:GLU196 4.1 32.8 1.0
CE2 B:TRP139 4.2 32.6 1.0
CZ2 B:TRP139 4.2 32.5 1.0
CA B:GLU229 4.3 32.5 1.0
CG B:GLU143 4.4 33.7 1.0
FE B:FE370 4.4 48.6 1.0
CG B:GLU229 4.4 32.4 1.0
OD2 B:ASP199 4.5 34.7 1.0
NE2 B:HIS232 4.6 32.3 1.0
CD1 B:TRP139 4.6 32.3 1.0
CD2 B:HIS232 4.6 32.1 1.0
CB B:GLU229 4.7 32.5 1.0
CB B:GLU196 4.8 32.1 1.0
O B:GLU229 4.9 33.3 1.0
CA B:GLU196 5.0 32.5 1.0
O B:ASP228 5.0 31.8 1.0

Iron binding site 5 out of 12 in 2j2f

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Iron binding site 5 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe370

b:48.2
occ:1.00
 OE1 C:GLU143 2.3 34.7 1.0
OE2 C:GLU229 2.3 32.4 1.0
OE1 C:GLU105 2.3 34.9 1.0
ND1 C:HIS146 2.4 32.9 1.0
OE2 C:GLU105 2.5 33.6 1.0
CD C:GLU105 2.7 34.1 1.0
O C:HOH2012 3.1 35.0 1.0
CE1 C:HIS146 3.1 32.8 1.0
CD C:GLU143 3.2 33.0 1.0
O C:HOH2023 3.2 31.0 1.0
OE2 C:GLU143 3.3 33.4 1.0
CD C:GLU229 3.4 32.7 1.0
CG C:HIS146 3.5 32.6 1.0
OE1 C:GLU229 3.9 34.6 1.0
CB C:HIS146 4.0 32.7 1.0
FE C:FE371 4.0 50.7 1.0
O C:HOH2006 4.0 11.1 1.0
CG C:GLU105 4.2 32.5 1.0
NE2 C:HIS146 4.3 31.7 1.0
NE2 C:HIS203 4.5 33.0 1.0
CG C:GLU143 4.5 33.8 1.0
CD2 C:HIS146 4.5 33.0 1.0
CG2 C:ILE225 4.6 32.3 1.0
CG C:GLU229 4.6 32.3 1.0
CB C:GLU143 4.9 32.4 1.0
CD2 C:HIS203 5.0 34.4 1.0
CA C:GLU143 5.0 32.2 1.0

Iron binding site 6 out of 12 in 2j2f

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Iron binding site 6 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe371

b:50.7
occ:1.00
 OE2 C:GLU143 2.1 33.4 1.0
O C:HOH2023 2.2 31.0 1.0
OE1 C:GLU196 2.2 33.2 1.0
OE1 C:GLU229 2.4 34.6 1.0
OE2 C:GLU196 2.5 33.5 1.0
CD C:GLU196 2.7 32.9 1.0
ND1 C:HIS232 2.8 32.5 1.0
CD C:GLU229 3.0 32.7 1.0
OE2 C:GLU229 3.2 32.4 1.0
CD C:GLU143 3.3 33.0 1.0
CE1 C:HIS232 3.6 33.6 1.0
O C:HOH2012 3.7 35.0 1.0
CG C:HIS232 3.8 33.0 1.0
NE1 C:TRP139 3.9 32.1 1.0
OE1 C:GLU143 3.9 34.7 1.0
FE C:FE370 4.0 48.2 1.0
CB C:HIS232 4.1 32.4 1.0
OD2 C:ASP199 4.2 34.9 1.0
CG C:GLU196 4.2 33.2 1.0
CG C:GLU229 4.2 32.3 1.0
CA C:GLU229 4.3 32.7 1.0
CZ2 C:TRP139 4.4 33.1 1.0
CE2 C:TRP139 4.5 32.6 1.0
CG C:GLU143 4.5 33.8 1.0
CB C:GLU229 4.5 32.8 1.0
NE2 C:HIS232 4.8 32.5 1.0
CB C:GLU196 4.9 32.5 1.0
CE1 C:HIS146 4.9 32.8 1.0
CA C:GLU196 4.9 32.6 1.0
CD2 C:HIS232 4.9 32.1 1.0
CD1 C:TRP139 5.0 32.3 1.0

Iron binding site 7 out of 12 in 2j2f

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Iron binding site 7 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe370

b:48.4
occ:1.00
 OE2 D:GLU229 2.2 31.9 1.0
OE1 D:GLU143 2.3 34.5 1.0
ND1 D:HIS146 2.4 33.0 1.0
OE2 D:GLU105 2.4 33.0 1.0
OE1 D:GLU105 2.4 34.5 1.0
CD D:GLU105 2.7 33.5 1.0
CE1 D:HIS146 3.1 33.0 1.0
CD D:GLU143 3.2 32.8 1.0
O D:HOH2017 3.3 34.7 1.0
CD D:GLU229 3.4 32.8 1.0
OE2 D:GLU143 3.4 33.1 1.0
O D:HOH2027 3.4 31.4 1.0
CG D:HIS146 3.5 32.5 1.0
OE1 D:GLU229 3.9 34.7 1.0
CB D:HIS146 3.9 32.4 1.0
O D:HOH2012 4.0 8.8 1.0
CG D:GLU105 4.2 32.7 1.0
FE D:FE371 4.2 50.5 1.0
NE2 D:HIS146 4.3 31.8 1.0
CG2 D:ILE225 4.4 32.4 1.0
NE2 D:HIS203 4.5 32.8 1.0
CD2 D:HIS146 4.5 33.0 1.0
CG D:GLU143 4.6 33.4 1.0
CG D:GLU229 4.6 32.4 1.0
CB D:GLU143 4.9 32.5 1.0
CD2 D:HIS203 4.9 34.3 1.0
CA D:GLU143 5.0 32.2 1.0

Iron binding site 8 out of 12 in 2j2f

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Iron binding site 8 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe371

b:50.5
occ:1.00
 OE2 D:GLU143 2.0 33.1 1.0
OE1 D:GLU196 2.3 33.4 1.0
OE1 D:GLU229 2.3 34.7 1.0
ND1 D:HIS232 2.5 32.8 1.0
O D:HOH2027 2.5 31.4 1.0
OE2 D:GLU196 2.5 33.8 1.0
CD D:GLU196 2.7 32.7 1.0
CD D:GLU229 3.2 32.8 1.0
CD D:GLU143 3.2 32.8 1.0
CE1 D:HIS232 3.3 33.7 1.0
OE2 D:GLU229 3.5 31.9 1.0
CG D:HIS232 3.5 32.8 1.0
NE1 D:TRP139 3.5 32.0 1.0
CB D:HIS232 3.8 32.6 1.0
OE1 D:GLU143 3.9 34.5 1.0
O D:HOH2017 4.0 34.7 1.0
CE2 D:TRP139 4.2 32.3 1.0
CZ2 D:TRP139 4.2 32.9 1.0
FE D:FE370 4.2 48.4 1.0
CG D:GLU196 4.2 32.9 1.0
CG D:GLU143 4.3 33.4 1.0
CA D:GLU229 4.4 32.6 1.0
CG D:GLU229 4.4 32.4 1.0
NE2 D:HIS232 4.5 32.2 1.0
OD2 D:ASP199 4.5 34.4 1.0
CD1 D:TRP139 4.6 32.3 1.0
CD2 D:HIS232 4.6 32.1 1.0
CB D:GLU229 4.7 32.5 1.0
CE1 D:HIS146 4.9 33.0 1.0
CB D:GLU196 4.9 32.2 1.0
O D:ASP228 5.0 32.1 1.0

Iron binding site 9 out of 12 in 2j2f

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Iron binding site 9 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe370

b:48.7
occ:1.00
 OE1 E:GLU143 2.2 34.4 1.0
ND1 E:HIS146 2.2 32.8 1.0
OE2 E:GLU229 2.3 31.8 1.0
OE1 E:GLU105 2.3 34.9 1.0
OE2 E:GLU105 2.3 32.8 1.0
CD E:GLU105 2.6 33.6 1.0
CE1 E:HIS146 3.0 32.9 1.0
O E:HOH2012 3.2 35.0 1.0
CD E:GLU143 3.2 32.6 1.0
CG E:HIS146 3.3 32.8 1.0
CD E:GLU229 3.4 32.9 1.0
OE2 E:GLU143 3.5 33.1 1.0
O E:HOH2017 3.5 31.7 1.0
CB E:HIS146 3.8 32.5 1.0
OE1 E:GLU229 3.9 34.7 1.0
CG E:GLU105 4.1 32.5 1.0
FE E:FE371 4.2 49.6 1.0
NE2 E:HIS146 4.2 31.8 1.0
CD2 E:HIS146 4.4 33.2 1.0
CG2 E:ILE225 4.5 32.4 1.0
CG E:GLU143 4.5 33.6 1.0
NE2 E:HIS203 4.5 32.9 1.0
CG E:GLU229 4.6 32.4 1.0
CB E:GLU143 4.8 32.5 1.0
CA E:GLU143 4.8 32.2 1.0
O E:GLU143 4.9 31.5 1.0
CB E:GLU105 4.9 31.9 1.0

Iron binding site 10 out of 12 in 2j2f

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Iron binding site 10 out of 12 in the The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe371

b:49.6
occ:1.00
 OE1 E:GLU229 2.1 34.7 1.0
OE1 E:GLU196 2.1 33.6 1.0
OE2 E:GLU143 2.2 33.1 1.0
O E:HOH2017 2.3 31.7 1.0
ND1 E:HIS232 2.7 32.3 1.0
OE2 E:GLU196 2.7 34.0 1.0
CD E:GLU196 2.7 33.2 1.0
CD E:GLU229 2.9 32.9 1.0
OE2 E:GLU229 3.1 31.8 1.0
CD E:GLU143 3.3 32.6 1.0
CE1 E:HIS232 3.5 33.5 1.0
CG E:HIS232 3.7 32.9 1.0
O E:HOH2012 3.8 35.0 1.0
NE1 E:TRP139 3.9 32.1 1.0
OE1 E:GLU143 3.9 34.4 1.0
CB E:HIS232 4.0 32.7 1.0
CG E:GLU229 4.1 32.4 1.0
CA E:GLU229 4.1 32.7 1.0
FE E:FE370 4.2 48.7 1.0
CG E:GLU196 4.2 33.0 1.0
CB E:GLU229 4.3 32.6 1.0
OD2 E:ASP199 4.4 34.5 1.0
CZ2 E:TRP139 4.5 32.8 1.0
CE2 E:TRP139 4.5 32.3 1.0
CG E:GLU143 4.5 33.6 1.0
NE2 E:HIS232 4.7 32.2 1.0
CE1 E:HIS146 4.8 32.9 1.0
CD2 E:HIS232 4.8 32.1 1.0
CB E:GLU196 4.8 32.5 1.0
N E:GLU229 4.9 32.7 1.0
CD1 E:TRP139 4.9 32.3 1.0
O E:ASP228 4.9 32.1 1.0
O E:GLU229 4.9 33.0 1.0
CA E:GLU196 5.0 32.6 1.0

Reference:

J.E.Guy, I.A.Abreu, M.Moche, Y.Lindqvist, E.Whittle, J.Shanklin. A Single Mutation in the Castor {Delta}9-18:0- Desaturase Changes Reaction Partitioning From Desaturation to Oxidase Chemistry. Proc.Natl.Acad.Sci.Usa V. 103 17220 2006.
ISSN: ISSN 0027-8424
PubMed: 17088542
DOI: 10.1073/PNAS.0607165103
Page generated: Sat Aug 3 23:29:41 2024

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