Iron in PDB 3vv9: Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei

The structure of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei, PDB code: 3vv9 was solved by T.Shiba, Y.Kido, K.Sakamoto, D.K.Inaoka, C.Tsuge, R.Tatsumi, E.O.Balogun, T.Nara, T.Aoki, T.Honma, A.Tanaka, M.Inoue, S.Matsuoka, H.Saimoto, A.L.Moore, S.Harada, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.38 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	261.312, 63.120, 136.457, 90.00, 121.38, 90.00
R / Rfree (%)	19.2 / 24.7

The binding sites of Iron atom in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei (pdb code 3vv9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei, PDB code: 3vv9:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


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 Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:63.3 occ:1.00 OE1 A:GLU266 2.0 58.8 1.0 OE1 A:GLU123 2.0 69.8 1.0 O A:OH503 2.1 43.5 1.0 OE2 A:GLU123 2.2 60.7 1.0 CD A:GLU123 2.4 65.2 1.0 OE1 A:GLU162 2.5 76.0 1.0 CD A:GLU266 3.2 63.6 1.0 ND1 A:HIS165 3.3 58.6 1.0 CD A:GLU162 3.3 81.5 1.0 FE A:FE502 3.5 70.9 1.0 CB A:ALA126 3.7 96.5 1.0 OE2 A:GLU162 3.8 74.7 1.0 OE2 A:GLU266 3.8 64.5 1.0 CG A:GLU123 3.9 58.5 1.0 CE1 A:HIS165 4.0 58.1 1.0 OH A:TYR220 4.0 79.5 1.0 CG A:GLU266 4.3 67.0 1.0 CG A:HIS165 4.3 57.2 1.0 CG A:GLU162 4.3 79.7 1.0 CB A:GLU162 4.5 74.8 1.0 CB A:HIS165 4.6 64.0 1.0 CB A:GLU123 4.7 65.0 1.0 CE2 A:TYR220 4.8 81.4 1.0 CA A:GLU123 4.8 68.9 1.0 CZ A:TYR220 4.9 75.6 1.0

Iron binding site 2 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


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 Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:70.9 occ:1.00 OE2 A:GLU266 2.1 64.5 1.0 OE2 A:GLU213 2.3 68.2 1.0 OE2 A:GLU162 2.3 74.7 1.0 OE1 A:GLU213 2.5 53.2 1.0 CD A:GLU213 2.7 63.3 1.0 CD A:GLU266 2.8 63.6 1.0 OE1 A:GLU266 2.9 58.8 1.0 CD A:GLU162 3.2 81.5 1.0 FE A:FE501 3.5 63.3 1.0 OE1 A:GLU162 3.6 76.0 1.0 O A:HOH601 3.7 23.9 1.0 O A:OH503 3.7 43.5 1.0 CG A:GLU266 4.1 67.0 1.0 CG A:GLU213 4.2 57.2 1.0 CG A:GLU162 4.2 79.7 1.0 ND1 A:HIS269 4.4 72.6 1.0 CB A:ALA216 4.5 74.7 1.0 CB A:GLU266 4.6 70.9 1.0 CB A:ALA126 4.6 96.5 1.0 CA A:GLU266 4.7 67.7 1.0 OE2 A:GLU158 4.9 70.1 1.0 O A:ALA126 4.9 86.9 1.0 CB A:HIS269 5.0 65.4 1.0

Iron binding site 3 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


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 Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:78.6 occ:1.00 OE1 B:GLU162 1.9 63.5 1.0 OE1 B:GLU123 1.9 53.7 1.0 CD B:GLU123 2.0 66.6 1.0 OE2 B:GLU123 2.1 67.0 1.0 O B:OH503 2.2 40.9 1.0 OE1 B:GLU266 2.2 65.3 1.0 FE B:FE502 3.0 64.3 1.0 CD B:GLU162 3.0 72.1 1.0 CD B:GLU266 3.3 59.4 1.0 CG B:GLU123 3.3 65.0 1.0 ND1 B:HIS165 3.4 96.6 1.0 OE2 B:GLU266 3.6 48.6 1.0 OE2 B:GLU162 3.6 78.4 1.0 CB B:ALA126 3.8 58.7 1.0 CE1 B:HIS165 3.9 0.0 1.0 OH B:TYR220 4.0 67.5 1.0 CB B:GLU123 4.1 65.4 1.0 CG B:GLU162 4.3 61.8 1.0 OE1 B:GLU213 4.3 61.1 1.0 CB B:GLU162 4.5 58.2 1.0 CA B:GLU123 4.5 63.4 1.0 CG B:GLU266 4.6 53.7 1.0 CG B:HIS165 4.7 93.4 1.0 CA B:GLU162 4.9 55.9 1.0

Iron binding site 4 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


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 Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:64.3 occ:1.00 OE1 B:GLU213 1.8 61.1 1.0 OE2 B:GLU162 1.8 78.4 1.0 OE2 B:GLU213 2.2 55.5 1.0 CD B:GLU213 2.3 54.0 1.0 OE2 B:GLU266 2.5 48.6 1.0 CD B:GLU162 2.5 72.1 1.0 OE1 B:GLU162 2.6 63.5 1.0 FE B:FE501 3.0 78.6 1.0 O B:OH503 3.1 40.9 1.0 CD B:GLU266 3.2 59.4 1.0 OE1 B:GLU266 3.3 65.3 1.0 CG B:GLU213 3.8 47.6 1.0 ND1 B:HIS269 3.8 63.4 1.0 CG B:GLU162 4.0 61.8 1.0 CB B:ALA126 4.3 58.7 1.0 OE2 B:GLU123 4.4 67.0 1.0 OE1 B:GLU123 4.6 53.7 1.0 CB B:GLU213 4.6 47.2 1.0 CG B:GLU266 4.7 53.7 1.0 CE1 B:HIS269 4.7 68.1 1.0 CG B:HIS269 4.8 62.5 1.0 CB B:HIS269 4.8 60.7 1.0 CB B:ALA216 4.9 49.2 1.0 CD B:GLU123 4.9 66.6 1.0 CA B:GLU266 4.9 61.3 1.0

Iron binding site 5 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:79.5 occ:1.00 OE1 C:GLU266 1.8 57.9 1.0 OE2 C:GLU123 1.9 78.2 1.0 O C:OH503 2.0 36.2 1.0 OE1 C:GLU123 2.4 73.9 1.0 CD C:GLU123 2.5 83.3 1.0 OE1 C:GLU162 2.5 86.6 1.0 CD C:GLU266 2.8 61.3 1.0 OE2 C:GLU266 3.1 51.8 1.0 CD C:GLU162 3.2 88.5 1.0 OH C:TYR220 3.3 1.0 1.0 OE2 C:GLU162 3.3 88.4 1.0 FE C:FE502 3.4 71.3 1.0 CG C:GLU123 3.9 85.8 1.0 ND1 C:HIS165 4.0 91.7 1.0 CG C:GLU266 4.1 60.5 1.0 CE2 C:TYR220 4.2 0.6 1.0 CB C:ALA126 4.2 91.6 1.0 CZ C:TYR220 4.2 0.3 1.0 CG C:GLU162 4.5 86.2 1.0 CE1 C:HIS165 4.7 0.8 1.0 CB C:GLU123 4.7 90.7 1.0 CA C:GLU123 4.7 91.3 1.0 CB C:ALA216 4.7 72.3 1.0 CB C:GLU162 4.8 79.5 1.0 OE2 C:GLU213 5.0 72.2 1.0

Iron binding site 6 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe502 b:71.3 occ:1.00 OE2 C:GLU162 1.9 88.4 1.0 OE2 C:GLU213 2.0 72.2 1.0 OE2 C:GLU266 2.1 51.8 1.0 OE1 C:GLU213 2.3 64.0 1.0 CD C:GLU213 2.5 73.8 1.0 CD C:GLU162 2.7 88.5 1.0 OE1 C:GLU162 2.9 86.6 1.0 O C:HOH601 3.2 57.2 1.0 CD C:GLU266 3.2 61.3 1.0 O C:OH503 3.2 36.2 1.0 FE C:FE501 3.4 79.5 1.0 OE1 C:GLU266 3.6 57.9 1.0 CG C:GLU213 4.0 71.8 1.0 CG C:GLU162 4.0 86.2 1.0 CB C:ALA126 4.3 91.6 1.0 ND1 C:HIS269 4.3 70.9 1.0 CB C:ALA216 4.5 72.3 1.0 CG C:GLU266 4.5 60.5 1.0 CB C:GLU266 4.8 61.7 1.0 OE2 C:GLU123 4.8 78.2 1.0 CB C:GLU213 4.8 76.3 1.0 CA C:GLU266 4.9 67.8 1.0 CA C:GLU213 5.0 84.8 1.0

Iron binding site 7 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:85.0 occ:1.00 OE1 D:GLU266 1.8 47.0 1.0 OE2 D:GLU123 2.0 78.5 1.0 OE1 D:GLU162 2.1 49.7 1.0 O D:OH503 2.1 79.6 1.0 OE1 D:GLU123 2.2 79.0 1.0 CD D:GLU123 2.4 84.7 1.0 CD D:GLU266 2.8 53.8 1.0 FE D:FE502 3.1 59.3 1.0 CD D:GLU162 3.2 53.8 1.0 OE2 D:GLU266 3.2 48.5 1.0 ND1 D:HIS165 3.3 61.4 1.0 OE2 D:GLU162 3.8 49.1 1.0 OH D:TYR220 3.9 97.9 1.0 CE1 D:HIS165 3.9 65.6 1.0 CG D:GLU123 3.9 84.7 1.0 CG D:GLU266 4.1 53.5 1.0 CB D:ALA126 4.2 86.4 1.0 CG D:GLU162 4.3 54.5 1.0 CB D:GLU162 4.4 55.6 1.0 CG D:HIS165 4.5 62.6 1.0 OE1 D:GLU213 4.6 51.6 1.0 CA D:GLU123 4.6 93.0 1.0 CE2 D:TYR220 4.7 77.3 1.0 CZ D:TYR220 4.8 83.9 1.0 CB D:GLU123 4.8 88.8 1.0 CA D:GLU162 4.8 62.1 1.0 CB D:HIS165 5.0 64.1 1.0

Iron binding site 8 out of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe502 b:59.3 occ:1.00 OE1 D:GLU213 2.0 51.6 1.0 OE2 D:GLU266 2.2 48.5 1.0 OE2 D:GLU213 2.2 50.4 1.0 OE2 D:GLU162 2.3 49.1 1.0 CD D:GLU213 2.3 53.3 1.0 O D:OH503 2.5 79.6 1.0 CD D:GLU266 2.8 53.8 1.0 CD D:GLU162 2.9 53.8 1.0 OE1 D:GLU266 3.0 47.0 1.0 OE1 D:GLU162 3.0 49.7 1.0 FE D:FE501 3.1 85.0 1.0 CB D:ALA126 3.6 86.4 1.0 CG D:GLU213 3.8 51.7 1.0 ND1 D:HIS269 3.8 70.2 1.0 CG D:GLU266 4.2 53.5 1.0 CG D:GLU162 4.3 54.5 1.0 CB D:GLU266 4.5 54.8 1.0 CE1 D:HIS269 4.5 74.2 1.0 CA D:GLU266 4.6 62.2 1.0 OE2 D:GLU123 4.7 78.5 1.0 CB D:GLU213 4.7 56.1 1.0 CB D:ALA216 4.7 65.5 1.0 CG D:HIS269 4.8 67.6 1.0 CA D:GLU213 4.9 62.0 1.0

T.Shiba, Y.Kido, K.Sakamoto, D.K.Inaoka, C.Tsuge, R.Tatsumi, G.Takahashi, E.O.Balogun, T.Nara, T.Aoki, T.Honma, A.Tanaka, M.Inoue, S.Matsuoka, H.Saimoto, A.L.Moore, S.Harada, K.Kita. Structure of the Trypanosome Cyanide-Insensitive Alternative Oxidase Proc.Natl.Acad.Sci.Usa V. 110 4580 2013.
ISSN: ISSN 0027-8424
PubMed: 23487766
DOI: 10.1073/PNAS.1218386110