Iron in PDB 7t63: Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia

The structure of Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia, PDB code: 7t63 was solved by Q.Liu, J.Chai, J.Shanklin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.82 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.896, 129.7, 62.996, 90, 90, 90
R / Rfree (%)	20.8 / 22.6

The binding sites of Iron atom in the Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia (pdb code 7t63). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia, PDB code: 7t63:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia


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 A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:41.2 occ:1.00 OE2 A:GLU138 2.4 29.2 1.0 OE2 A:GLU191 2.4 30.0 1.0 OE1 A:GLU191 2.6 29.9 1.0 OE1 A:GLU224 2.6 27.8 1.0 ND1 A:HIS227 2.6 27.4 1.0 O A:HOH695 2.7 30.2 1.0 CD A:GLU191 2.8 29.5 1.0 NE1 A:TRP134 3.5 25.0 1.0 CD A:GLU138 3.5 30.8 1.0 CG A:HIS227 3.6 27.1 1.0 CE1 A:HIS227 3.6 26.1 1.0 CB A:HIS227 3.7 24.9 1.0 CD A:GLU224 3.7 29.3 1.0 FE A:FE2402 3.8 30.8 1.0 CZ2 A:TRP134 4.0 28.7 1.0 CE2 A:TRP134 4.1 25.8 1.0 OE1 A:GLU138 4.2 32.9 1.0 CA A:GLU224 4.3 26.0 1.0 CG A:GLU191 4.3 25.9 1.0 OE2 A:GLU224 4.4 33.4 1.0 O A:HOH712 4.5 35.4 1.0 CG A:GLU138 4.5 27.6 1.0 CB A:GLU224 4.5 25.9 1.0 CD1 A:TRP134 4.5 26.2 1.0 CG A:GLU224 4.7 25.6 1.0 NE2 A:HIS227 4.7 26.8 1.0 CD2 A:HIS227 4.7 26.8 1.0 CE1 A:HIS141 4.9 26.0 1.0 N A:GLU224 5.0 24.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia


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 A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:30.8 occ:1.00 OE1 A:GLU138 2.5 32.9 1.0 OE2 A:GLU224 2.5 33.4 1.0 OE2 A:GLU100 2.6 27.7 1.0 OE1 A:GLU100 2.7 28.7 1.0 ND1 A:HIS141 2.7 25.1 1.0 OE1 A:GLU224 2.9 27.8 1.0 OE2 A:GLU138 2.9 29.2 1.0 CD A:GLU100 3.0 27.2 1.0 CD A:GLU138 3.1 30.8 1.0 CD A:GLU224 3.1 29.3 1.0 O A:HOH695 3.2 30.2 1.0 CE1 A:HIS141 3.5 26.0 1.0 FE A:FE2401 3.8 41.2 1.0 CG A:HIS141 3.8 24.2 1.0 O A:HOH693 4.0 31.4 1.0 CB A:HIS141 4.2 24.8 1.0 O A:HOH573 4.3 28.5 1.0 CG2 A:THR194 4.3 27.7 1.0 CG A:GLU100 4.5 26.7 1.0 CG A:GLU138 4.5 27.6 1.0 CG A:GLU224 4.6 25.6 1.0 NE2 A:HIS141 4.7 28.6 1.0 CG2 A:ILE220 4.9 23.2 1.0 CD2 A:HIS141 4.9 24.3 1.0 CE1 A:HIS198 5.0 26.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia


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 A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:33.9 occ:1.00 OE1 B:GLU138 2.5 30.4 1.0 OE2 B:GLU224 2.5 31.9 1.0 OE1 B:GLU100 2.6 29.8 1.0 OE2 B:GLU100 2.6 29.9 1.0 ND1 B:HIS141 2.8 27.5 1.0 CD B:GLU100 3.0 29.4 1.0 OE1 B:GLU224 3.0 30.9 1.0 CD B:GLU224 3.1 31.5 1.0 FE B:FE2402 3.2 49.2 1.0 CD B:GLU138 3.3 28.4 1.0 OE2 B:GLU138 3.4 31.0 1.0 CE1 B:HIS141 3.6 27.4 1.0 CG B:HIS141 3.9 26.7 1.0 CB B:HIS141 4.2 24.8 1.0 CG2 B:THR194 4.2 29.5 1.0 CG B:GLU100 4.5 26.5 1.0 O B:HOH609 4.5 29.4 1.0 CG B:GLU224 4.6 24.4 1.0 CG B:GLU138 4.7 25.4 1.0 NE2 B:HIS198 4.8 28.3 1.0 NE2 B:HIS141 4.8 29.1 1.0 CG2 B:ILE220 4.8 25.5 1.0 CD2 B:HIS141 5.0 26.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia


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 A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:49.2 occ:1.00 OE2 B:GLU138 2.6 31.0 1.0 OE2 B:GLU191 2.6 30.2 1.0 OE1 B:GLU224 2.7 30.9 1.0 OE1 B:GLU191 2.7 29.3 1.0 CD B:GLU191 3.0 28.1 1.0 FE B:FE2401 3.2 33.9 1.0 CD B:GLU138 3.3 28.4 1.0 CD B:GLU224 3.5 31.5 1.0 OE1 B:GLU138 3.6 30.4 1.0 ND1 B:HIS227 3.8 25.8 1.0 OE2 B:GLU224 3.9 31.9 1.0 CZ2 B:TRP134 4.1 24.6 1.0 NE1 B:TRP134 4.2 25.3 1.0 CG B:GLU191 4.4 26.5 1.0 CE2 B:TRP134 4.5 25.8 1.0 CG B:GLU138 4.6 25.4 1.0 CE1 B:HIS227 4.6 26.6 1.0 CG B:GLU224 4.7 24.4 1.0 CB B:GLU224 4.7 25.7 1.0 CG B:HIS227 4.8 26.6 1.0 CB B:THR194 4.8 27.9 1.0 CB B:HIS227 4.8 25.1 1.0 CG2 B:THR194 4.9 29.5 1.0 CA B:GLU224 4.9 26.8 1.0 CA B:GLU191 4.9 25.9 1.0 OG1 B:THR194 4.9 29.8 1.0

Q.Liu, J.Chai, J.Shanklin. Crystal Structure of A Delta 6 18:0-Acp Desaturase From Thunbergia Laurifolia To Be Published.