Iron in PDB 1l5p: Crystal Structure of Trichomonas Vaginalis Ferredoxin

The structure of Crystal Structure of Trichomonas Vaginalis Ferredoxin, PDB code: 1l5p was solved by C.R.Crossnoe, J.P.Germanas, P.Le Magueres, G.Mustata, K.L.Krause, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.400, 64.550, 133.880, 90.00, 90.00, 90.00
R / Rfree (%)	24.8 / 31.5

The binding sites of Iron atom in the Crystal Structure of Trichomonas Vaginalis Ferredoxin (pdb code 1l5p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of Trichomonas Vaginalis Ferredoxin, PDB code: 1l5p:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Structure of Trichomonas Vaginalis Ferredoxin


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 Trichomonas Vaginalis Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe94 b:29.9 occ:1.00 FE1 A:FES94 0.0 29.9 1.0 S1 A:FES94 2.2 33.0 1.0 S2 A:FES94 2.3 30.4 1.0 SG A:CYS38 2.3 28.3 1.0 SG A:CYS44 2.4 27.6 1.0 FE2 A:FES94 2.7 32.5 1.0 CB A:CYS44 3.4 34.4 1.0 N A:CYS44 3.4 36.9 1.0 CB A:CYS38 3.5 32.8 1.0 N A:CYS38 3.5 34.4 1.0 N A:GLY45 3.7 35.0 1.0 CA A:CYS44 3.8 34.4 1.0 CA A:CYS38 4.0 33.8 1.0 N A:ALA43 4.1 41.3 1.0 N A:LYS42 4.2 46.8 1.0 C A:CYS44 4.2 34.4 1.0 N A:ASN41 4.3 43.4 1.0 N A:GLY40 4.3 33.1 1.0 SG A:CYS78 4.4 34.6 1.0 C A:CYS38 4.4 34.3 1.0 N A:LYS46 4.4 32.7 1.0 CB A:THR37 4.5 37.3 1.0 N A:GLN39 4.6 33.7 1.0 C A:THR37 4.6 35.6 1.0 C A:ALA43 4.6 37.9 1.0 CA A:LYS42 4.6 44.6 1.0 CA A:GLY45 4.7 33.0 1.0 CA A:GLY40 4.8 37.0 1.0 CA A:THR37 4.8 37.5 1.0 SG A:CYS47 4.8 31.0 1.0 C A:LYS42 4.8 43.6 1.0 OG1 A:THR37 4.9 36.5 1.0 CA A:ALA43 4.9 38.0 1.0 C A:ASN41 5.0 47.7 1.0

Iron binding site 2 out of 6 in the Crystal Structure of Trichomonas Vaginalis Ferredoxin


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 Trichomonas Vaginalis Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe94 b:32.5 occ:1.00 FE2 A:FES94 0.0 32.5 1.0 SG A:CYS78 2.2 34.6 1.0 S1 A:FES94 2.2 33.0 1.0 S2 A:FES94 2.3 30.4 1.0 SG A:CYS47 2.4 31.0 1.0 FE1 A:FES94 2.7 29.9 1.0 CB A:CYS47 3.4 29.1 1.0 CB A:CYS78 3.5 28.4 1.0 CA A:GLY40 4.2 37.0 1.0 N A:LYS42 4.2 46.8 1.0 N A:CYS47 4.2 31.2 1.0 SG A:CYS38 4.3 28.3 1.0 N A:CYS78 4.3 24.0 1.0 N A:GLY40 4.4 33.1 1.0 CA A:LYS42 4.5 44.6 1.0 CA A:CYS47 4.5 29.0 1.0 CA A:CYS78 4.5 26.7 1.0 SG A:CYS44 4.6 27.6 1.0 N A:ASN41 4.6 43.4 1.0 C A:GLY40 4.7 39.3 1.0 CD1 A:PHE23 4.7 15.1 1.0 N A:GLY45 4.8 35.0 1.0 CB A:LEU76 4.9 23.3 1.0 CD1 A:LEU76 4.9 20.1 1.0 N A:LYS46 4.9 32.7 1.0 CE1 A:PHE23 4.9 15.0 1.0 CD2 A:LEU76 4.9 19.6 1.0

Iron binding site 3 out of 6 in the Crystal Structure of Trichomonas Vaginalis Ferredoxin


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 Trichomonas Vaginalis Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe94 b:38.7 occ:1.00 FE1 B:FES94 0.0 38.7 1.0 S1 B:FES94 2.2 34.4 1.0 S2 B:FES94 2.2 36.1 1.0 SG B:CYS38 2.4 44.3 1.0 SG B:CYS44 2.7 49.2 1.0 FE2 B:FES94 2.7 36.5 1.0 OG1 B:THR37 3.2 57.4 1.0 N B:CYS44 3.5 49.0 1.0 CB B:CYS44 3.6 48.1 1.0 N B:CYS38 3.7 49.0 1.0 N B:GLY45 3.7 48.6 1.0 CB B:CYS38 3.8 44.7 1.0 CA B:CYS44 3.9 48.5 1.0 N B:ALA43 4.2 50.8 1.0 CA B:CYS38 4.2 46.2 1.0 C B:CYS44 4.2 48.7 1.0 N B:LYS46 4.3 47.7 1.0 N B:LYS42 4.3 51.2 1.0 N B:GLY40 4.4 46.3 1.0 N B:ASN41 4.4 49.0 1.0 SG B:CYS78 4.4 28.4 1.0 CB B:THR37 4.5 53.9 1.0 C B:CYS38 4.6 46.4 1.0 CA B:GLY45 4.6 48.2 1.0 N B:GLN39 4.6 45.5 1.0 C B:THR37 4.7 51.4 1.0 C B:ALA43 4.7 49.0 1.0 CA B:LYS42 4.7 51.7 1.0 CA B:GLY40 4.8 47.8 1.0 SG B:CYS47 4.8 35.2 1.0 CA B:THR37 4.8 53.9 1.0 N B:CYS47 4.9 43.4 1.0 C B:LYS42 5.0 51.6 1.0 C B:GLY45 5.0 49.0 1.0 CA B:ALA43 5.0 49.6 1.0

Iron binding site 4 out of 6 in the Crystal Structure of Trichomonas Vaginalis Ferredoxin


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 Trichomonas Vaginalis Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe94 b:36.5 occ:1.00 FE2 B:FES94 0.0 36.5 1.0 S1 B:FES94 2.2 34.4 1.0 S2 B:FES94 2.2 36.1 1.0 SG B:CYS47 2.4 35.2 1.0 SG B:CYS78 2.4 28.4 1.0 FE1 B:FES94 2.7 38.7 1.0 CB B:CYS47 3.2 36.8 1.0 CB B:CYS78 3.3 25.1 1.0 N B:CYS47 4.1 43.4 1.0 CA B:GLY40 4.2 47.8 1.0 N B:CYS78 4.2 29.3 1.0 CA B:CYS47 4.3 37.9 1.0 CA B:CYS78 4.4 28.2 1.0 N B:LYS42 4.4 51.2 1.0 N B:GLY40 4.5 46.3 1.0 SG B:CYS38 4.5 44.3 1.0 OG1 B:THR37 4.6 57.4 1.0 CA B:LYS42 4.6 51.7 1.0 CD1 B:PHE23 4.7 28.9 1.0 CB B:LEU76 4.7 24.8 1.0 N B:ASN41 4.7 49.0 1.0 C B:GLY40 4.8 48.3 1.0 CD1 B:LEU76 4.8 23.3 1.0 N B:LYS46 4.9 47.7 1.0 SG B:CYS44 4.9 49.2 1.0 N B:GLY45 4.9 48.6 1.0 CD2 B:LEU76 5.0 23.9 1.0 CE1 B:PHE23 5.0 23.1 1.0

Iron binding site 5 out of 6 in the Crystal Structure of Trichomonas Vaginalis Ferredoxin


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 Trichomonas Vaginalis Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe94 b:51.2 occ:1.00 FE1 C:FES94 0.0 51.2 1.0 S1 C:FES94 2.2 49.0 1.0 S2 C:FES94 2.3 54.8 1.0 SG C:CYS78 2.3 35.9 1.0 SG C:CYS47 2.6 52.1 1.0 FE2 C:FES94 2.7 51.0 1.0 CB C:CYS78 3.1 37.1 1.0 CB C:CYS47 3.8 48.8 1.0 CA C:GLY40 3.9 62.5 1.0 N C:LYS42 3.9 59.5 1.0 N C:GLY40 4.2 64.4 1.0 N C:ASN41 4.3 61.5 1.0 CA C:LYS42 4.3 57.3 1.0 SG C:CYS38 4.3 72.3 1.0 C C:GLY40 4.3 61.9 1.0 CA C:CYS78 4.3 37.4 1.0 N C:CYS78 4.4 35.0 1.0 N C:CYS47 4.5 50.5 1.0 CD1 C:PHE23 4.6 57.6 1.0 CA C:CYS47 4.8 48.3 1.0 CD1 C:LEU76 4.9 35.6 1.0 CE1 C:PHE23 4.9 57.3 1.0 N C:GLY45 4.9 60.0 1.0 CB C:LEU76 4.9 31.0 1.0 SG C:CYS44 4.9 57.9 1.0

Iron binding site 6 out of 6 in the Crystal Structure of Trichomonas Vaginalis Ferredoxin


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 Trichomonas Vaginalis Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe94 b:51.0 occ:1.00 FE2 C:FES94 0.0 51.0 1.0 S1 C:FES94 2.2 49.0 1.0 S2 C:FES94 2.3 54.8 1.0 SG C:CYS44 2.6 57.9 1.0 SG C:CYS38 2.7 72.3 1.0 FE1 C:FES94 2.7 51.2 1.0 CB C:CYS44 3.5 58.1 1.0 N C:CYS38 3.5 72.6 1.0 N C:CYS44 3.5 59.8 1.0 N C:GLY45 3.7 60.0 1.0 CB C:CYS38 3.8 70.9 1.0 CA C:CYS44 3.9 59.2 1.0 CA C:CYS38 4.1 70.3 1.0 C C:CYS44 4.2 60.1 1.0 N C:LYS46 4.3 56.6 1.0 N C:ALA43 4.3 58.6 1.0 CB C:THR37 4.3 76.2 1.0 N C:GLY40 4.4 64.4 1.0 C C:CYS38 4.4 68.5 1.0 N C:ASN41 4.5 61.5 1.0 C C:THR37 4.5 74.4 1.0 N C:LYS42 4.5 59.5 1.0 N C:GLN39 4.5 67.7 1.0 CA C:THR37 4.6 76.2 1.0 SG C:CYS47 4.7 52.1 1.0 CA C:GLY45 4.7 58.5 1.0 C C:ALA43 4.7 60.2 1.0 SG C:CYS78 4.8 35.9 1.0 CA C:GLY40 4.8 62.5 1.0 N C:CYS47 4.9 50.5 1.0 CA C:LYS42 4.9 57.3 1.0

C.R.Crossnoe, J.P.Germanas, P.Lemagueres, G.Mustata, K.L.Krause. The Crystal Structure of Trichomonas Vaginalis Ferredoxin Provides Insight Into Metronidazole Activation. J.Mol.Biol. V. 318 503 2002.
ISSN: ISSN 0022-2836
PubMed: 12051855
DOI: 10.1016/S0022-2836(02)00051-7