Iron in PDB 9ilt: Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus

The structure of Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus, PDB code: 9ilt was solved by X.Xu, W.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.30 / 3.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	142.016, 153.063, 173.381, 90, 90, 90
R / Rfree (%)	24.9 / 28.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus (pdb code 9ilt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 21 binding sites of Iron where determined in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus, PDB code: 9ilt:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:65.2 occ:1.00 FE A:HEC301 0.0 65.2 1.0 NA A:HEC301 2.1 64.7 1.0 ND A:HEC301 2.1 65.4 1.0 NC A:HEC301 2.1 63.8 1.0 NE2 A:HIS218 2.1 67.4 1.0 NB A:HEC301 2.1 63.2 1.0 SD A:MET161 2.1 89.2 1.0 CE1 A:HIS218 3.0 72.6 1.0 C1A A:HEC301 3.0 64.0 1.0 C4D A:HEC301 3.0 64.9 1.0 C1C A:HEC301 3.1 61.3 1.0 C4A A:HEC301 3.1 63.5 1.0 C4C A:HEC301 3.1 63.3 1.0 C1D A:HEC301 3.1 64.4 1.0 C4B A:HEC301 3.1 59.9 1.0 CG A:MET161 3.1 69.6 1.0 C1B A:HEC301 3.1 61.8 1.0 CD2 A:HIS218 3.1 67.7 1.0 CHA A:HEC301 3.4 64.2 1.0 CHC A:HEC301 3.4 59.0 1.0 CHD A:HEC301 3.5 63.4 1.0 CHB A:HEC301 3.5 61.8 1.0 CE A:MET161 3.7 75.8 1.0 CB A:MET161 4.1 65.6 1.0 ND1 A:HIS218 4.1 61.0 1.0 C2A A:HEC301 4.2 63.0 1.0 C2C A:HEC301 4.2 60.5 1.0 CG A:HIS218 4.2 59.3 1.0 C3A A:HEC301 4.2 62.6 1.0 C3C A:HEC301 4.3 61.3 1.0 C3D A:HEC301 4.3 63.7 1.0 C2D A:HEC301 4.3 63.4 1.0 C3B A:HEC301 4.3 57.7 1.0 C2B A:HEC301 4.3 58.6 1.0

Iron binding site 2 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:68.8 occ:1.00 FE A:HEC302 0.0 68.8 1.0 NC A:HEC302 2.1 69.5 1.0 NB A:HEC302 2.1 69.7 1.0 NA A:HEC302 2.1 68.0 1.0 ND A:HEC302 2.1 68.6 1.0 NE2 A:HIS133 2.1 37.4 1.0 NE2 A:HIS168 2.2 68.0 1.0 CE1 A:HIS168 2.4 69.7 1.0 CE1 A:HIS133 2.7 42.8 1.0 C1B A:HEC302 3.1 70.0 1.0 C4C A:HEC302 3.1 69.5 1.0 C1C A:HEC302 3.1 70.2 1.0 C4B A:HEC302 3.1 70.3 1.0 C1A A:HEC302 3.1 67.2 1.0 C4A A:HEC302 3.1 68.6 1.0 C4D A:HEC302 3.1 67.7 1.0 C1D A:HEC302 3.1 69.0 1.0 CD2 A:HIS133 3.3 45.0 1.0 CD2 A:HIS168 3.3 70.9 1.0 CHA A:HEC302 3.4 67.1 1.0 CHD A:HEC302 3.4 69.3 1.0 CHB A:HEC302 3.4 69.4 1.0 CHC A:HEC302 3.4 70.3 1.0 ND1 A:HIS168 3.6 71.6 1.0 ND1 A:HIS133 3.8 41.2 1.0 CG A:HIS168 4.0 69.8 1.0 CG A:HIS133 4.2 35.0 1.0 C2B A:HEC302 4.3 70.8 1.0 C3C A:HEC302 4.3 70.1 1.0 C3B A:HEC302 4.3 70.7 1.0 C3A A:HEC302 4.3 67.6 1.0 C2A A:HEC302 4.3 67.0 1.0 C2C A:HEC302 4.3 71.0 1.0 C3D A:HEC302 4.3 68.1 1.0 C2D A:HEC302 4.3 69.2 1.0

Iron binding site 3 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:61.7 occ:1.00 FE A:HEC303 0.0 61.7 1.0 NA A:HEC303 2.1 63.0 1.0 NC A:HEC303 2.1 59.1 1.0 ND A:HEC303 2.1 60.0 1.0 NE2 A:HIS144 2.1 81.0 1.0 NB A:HEC303 2.1 61.3 1.0 NE2 A:HIS130 2.1 58.2 1.0 CD2 A:HIS130 2.8 50.5 1.0 CE1 A:HIS144 3.0 82.1 1.0 C1A A:HEC303 3.0 62.5 1.0 C1D A:HEC303 3.0 58.5 1.0 C4A A:HEC303 3.0 63.7 1.0 C4D A:HEC303 3.1 59.7 1.0 C4C A:HEC303 3.1 57.7 1.0 C1B A:HEC303 3.1 62.5 1.0 C1C A:HEC303 3.1 58.2 1.0 C4B A:HEC303 3.1 60.0 1.0 CD2 A:HIS144 3.1 70.7 1.0 CE1 A:HIS130 3.3 61.7 1.0 CHD A:HEC303 3.4 57.8 1.0 CHB A:HEC303 3.4 63.7 1.0 CHA A:HEC303 3.4 61.2 1.0 CHC A:HEC303 3.5 58.9 1.0 CG A:HIS130 4.0 45.8 1.0 ND1 A:HIS144 4.1 61.6 1.0 CG A:HIS144 4.2 58.8 1.0 C2A A:HEC303 4.2 63.5 1.0 C3A A:HEC303 4.2 64.1 1.0 ND1 A:HIS130 4.2 50.7 1.0 C2B A:HEC303 4.3 61.6 1.0 C2D A:HEC303 4.3 57.2 1.0 C3D A:HEC303 4.3 57.5 1.0 C3C A:HEC303 4.3 55.5 1.0 C3B A:HEC303 4.3 60.0 1.0 C2C A:HEC303 4.3 56.3 1.0 CE2 A:PHE128 4.8 54.7 1.0

Iron binding site 4 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe304 b:68.3 occ:1.00 FE A:HEC304 0.0 68.3 1.0 NA A:HEC304 2.0 66.2 1.0 NB A:HEC304 2.1 66.9 1.0 NC A:HEC304 2.1 69.5 1.0 ND A:HEC304 2.1 68.8 1.0 NE2 A:HIS55 2.1 75.1 1.0 NE2 A:HIS70 2.2 74.8 1.0 CE1 A:HIS70 3.0 70.0 1.0 C1A A:HEC304 3.1 66.0 1.0 C4A A:HEC304 3.1 65.4 1.0 C4D A:HEC304 3.1 68.2 1.0 C1B A:HEC304 3.1 65.7 1.0 CE1 A:HIS55 3.1 77.3 1.0 C4B A:HEC304 3.1 67.3 1.0 C1C A:HEC304 3.1 69.5 1.0 C1D A:HEC304 3.1 69.8 1.0 C4C A:HEC304 3.1 70.3 1.0 CD2 A:HIS55 3.1 75.2 1.0 CD2 A:HIS70 3.3 67.8 1.0 CHA A:HEC304 3.4 66.9 1.0 CHB A:HEC304 3.4 64.9 1.0 CHD A:HEC304 3.4 70.2 1.0 CHC A:HEC304 3.4 68.3 1.0 ND1 A:HIS70 4.1 63.4 1.0 ND1 A:HIS55 4.2 64.3 1.0 CG A:HIS55 4.2 63.1 1.0 C3A A:HEC304 4.3 63.5 1.0 C2A A:HEC304 4.3 64.0 1.0 C2B A:HEC304 4.3 65.4 1.0 C3D A:HEC304 4.3 69.0 1.0 C3B A:HEC304 4.3 66.1 1.0 C2D A:HEC304 4.3 69.8 1.0 C2C A:HEC304 4.3 70.7 1.0 C3C A:HEC304 4.3 70.8 1.0 CG A:HIS70 4.3 61.0 1.0

Iron binding site 5 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe305 b:77.6 occ:1.00 FE A:HEC305 0.0 77.6 1.0 NA A:HEC305 2.0 78.3 1.0 NB A:HEC305 2.1 76.0 1.0 NC A:HEC305 2.1 76.4 1.0 ND A:HEC305 2.1 78.1 1.0 NE2 A:HIS58 2.1 68.8 1.0 NE2 A:HIS91 2.1 85.0 1.0 CE1 A:HIS91 2.4 80.2 1.0 CD2 A:HIS58 3.0 73.2 1.0 C1C A:HEC305 3.1 75.0 1.0 C1A A:HEC305 3.1 78.5 1.0 C4B A:HEC305 3.1 74.3 1.0 C1B A:HEC305 3.1 76.0 1.0 C4A A:HEC305 3.1 77.9 1.0 C4D A:HEC305 3.1 78.4 1.0 C4C A:HEC305 3.1 76.3 1.0 CE1 A:HIS58 3.1 72.0 1.0 C1D A:HEC305 3.1 77.7 1.0 CD2 A:HIS91 3.4 89.5 1.0 CHA A:HEC305 3.4 78.7 1.0 CHC A:HEC305 3.4 73.8 1.0 CHB A:HEC305 3.5 77.1 1.0 CHD A:HEC305 3.5 76.7 1.0 ND1 A:HIS91 3.7 83.9 1.0 CG A:HIS91 4.2 80.7 1.0 ND1 A:HIS58 4.2 65.7 1.0 CG A:HIS58 4.2 65.7 1.0 C2C A:HEC305 4.3 74.2 1.0 C2A A:HEC305 4.3 78.7 1.0 C3B A:HEC305 4.3 73.1 1.0 C2B A:HEC305 4.3 74.3 1.0 C3A A:HEC305 4.3 78.3 1.0 C3C A:HEC305 4.3 75.0 1.0 C3D A:HEC305 4.3 79.3 1.0 C2D A:HEC305 4.3 78.5 1.0

Iron binding site 6 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1101 b:74.9 occ:1.00 FE1 B:SF41101 0.0 74.9 1.0 SG B:CYS797 2.3 79.9 1.0 S3 B:SF41101 2.3 71.3 1.0 S4 B:SF41101 2.3 72.2 1.0 S2 B:SF41101 2.3 75.0 1.0 FE2 B:SF41101 2.7 70.3 1.0 FE3 B:SF41101 2.7 72.5 1.0 FE4 B:SF41101 2.7 71.7 1.0 N B:CYS797 3.3 66.4 1.0 CB B:CYS797 3.6 67.5 1.0 N B:ASN798 3.8 78.3 1.0 S1 B:SF41101 3.9 69.0 1.0 CA B:CYS797 3.9 68.4 1.0 N B:GLY796 4.2 70.3 1.0 C B:CYS797 4.2 73.0 1.0 C B:GLY796 4.3 60.1 1.0 N B:ALA799 4.3 71.5 1.0 CA B:GLY796 4.5 62.6 1.0 SG B:CYS972 4.5 60.3 1.0 CG1 B:ILE795 4.6 47.5 1.0 SG B:CYS800 4.6 54.0 1.0 N B:ILE795 4.8 47.9 1.0 CA B:ASN798 4.8 72.6 1.0 SG B:CYS794 4.8 63.9 1.0 CD B:PRO973 4.8 67.8 1.0 CB B:ALA799 4.9 72.8 1.0

Iron binding site 7 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1101 b:70.3 occ:1.00 FE2 B:SF41101 0.0 70.3 1.0 SG B:CYS972 2.3 60.3 1.0 S4 B:SF41101 2.3 72.2 1.0 S3 B:SF41101 2.3 71.3 1.0 S1 B:SF41101 2.3 69.0 1.0 FE1 B:SF41101 2.7 74.9 1.0 FE3 B:SF41101 2.7 72.5 1.0 FE4 B:SF41101 2.7 71.7 1.0 CB B:CYS972 3.3 55.6 1.0 S2 B:SF41101 3.9 75.0 1.0 CA B:CYS972 4.0 54.9 1.0 OG1 B:THR974 4.0 52.8 1.0 CB B:ALA976 4.3 56.2 1.0 SG B:CYS797 4.4 79.9 1.0 SG B:CYS800 4.8 54.0 1.0 SG B:CYS794 4.8 63.9 1.0 C B:CYS972 4.9 55.7 1.0 CD B:PRO973 4.9 67.8 1.0 N B:ALA976 4.9 54.3 1.0 CG1 B:ILE977 4.9 49.1 1.0 CD1 B:ILE977 5.0 52.4 1.0 CA B:CYS794 5.0 61.8 1.0

Iron binding site 8 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


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 Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1101 b:72.5 occ:1.00 FE3 B:SF41101 0.0 72.5 1.0 SG B:CYS800 2.3 54.0 1.0 S4 B:SF41101 2.3 72.2 1.0 S2 B:SF41101 2.3 75.0 1.0 S1 B:SF41101 2.3 69.0 1.0 FE1 B:SF41101 2.7 74.9 1.0 FE2 B:SF41101 2.7 70.3 1.0 FE4 B:SF41101 2.7 71.7 1.0 CB B:CYS800 3.4 65.5 1.0 S3 B:SF41101 3.9 71.3 1.0 N B:CYS800 4.0 54.3 1.0 CA B:CYS800 4.4 55.8 1.0 CD1 B:ILE829 4.5 64.0 1.0 SG B:CYS797 4.7 79.9 1.0 SG B:CYS794 4.7 63.9 1.0 N B:ALA799 4.8 71.5 1.0 CG1 B:ILE829 4.8 59.2 1.0 CD1 B:ILE977 4.8 52.4 1.0 SG B:CYS972 4.8 60.3 1.0 N B:ASN798 4.9 78.3 1.0 CG B:PRO847 4.9 39.9 1.0

Iron binding site 9 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1101 b:71.7 occ:1.00 FE4 B:SF41101 0.0 71.7 1.0 S3 B:SF41101 2.3 71.3 1.0 SG B:CYS794 2.3 63.9 1.0 S2 B:SF41101 2.3 75.0 1.0 S1 B:SF41101 2.3 69.0 1.0 FE1 B:SF41101 2.7 74.9 1.0 FE2 B:SF41101 2.7 70.3 1.0 FE3 B:SF41101 2.7 72.5 1.0 CB B:CYS794 3.4 60.5 1.0 CA B:CYS794 3.6 61.8 1.0 N B:ILE795 3.9 47.9 1.0 N B:GLY796 3.9 70.3 1.0 S4 B:SF41101 3.9 72.2 1.0 C B:CYS794 4.2 62.9 1.0 CG B:PRO847 4.3 39.9 1.0 CA B:GLY796 4.5 62.6 1.0 N B:CYS797 4.8 66.4 1.0 SG B:CYS972 4.8 60.3 1.0 C B:ILE795 4.9 46.2 1.0 SG B:CYS800 4.9 54.0 1.0 N B:CYS794 4.9 56.6 1.0 SG B:CYS797 4.9 79.9 1.0 CA B:ILE795 5.0 44.3 1.0 CG1 B:ILE829 5.0 59.2 1.0

Iron binding site 10 out of 21 in the Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Alternative Complex III From Chloroflexus Aurantiacus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1102 b:53.7 occ:1.00 FE1 B:SF41102 0.0 53.7 1.0 SG B:CYS934 2.3 45.2 1.0 S2 B:SF41102 2.3 54.3 1.0 S4 B:SF41102 2.3 51.2 1.0 S3 B:SF41102 2.3 55.7 1.0 FE3 B:SF41102 2.7 52.2 1.0 FE4 B:SF41102 2.7 56.4 1.0 FE2 B:SF41102 2.7 53.4 1.0 N B:CYS934 3.4 57.5 1.0 CB B:CYS934 3.5 59.7 1.0 CA B:CYS934 3.8 59.0 1.0 S1 B:SF41102 3.9 54.0 1.0 C B:TYR933 4.0 60.6 1.0 CB B:THR966 4.2 59.0 1.0 OD1 B:ASN808 4.2 45.9 1.0 CA B:TYR933 4.4 65.3 1.0 N B:ALA967 4.5 43.6 1.0 CG2 B:THR966 4.5 68.1 1.0 N B:TYR933 4.6 56.2 1.0 SG B:CYS968 4.6 67.2 1.0 SG B:CYS804 4.7 38.3 1.0 O B:TYR933 4.8 56.8 1.0 SG B:CYS931 4.8 35.2 1.0 N B:CYS968 5.0 56.5 1.0 CA B:THR966 5.0 53.2 1.0 CB B:ALA967 5.0 45.6 1.0

W.Wu, H.Fang, H.He, J.Wu, Z.Gong, C.Li, X.Pei, X.Xu. Crystal Structure of the Alternative Complex III From the Phototrophic Bacterium Chloroflexus Aurantiacus. Structure V. 33 29 2025.
ISSN: ISSN 0969-2126
PubMed: 39500318
DOI: 10.1016/J.STR.2024.10.014