Iron in PDB 6unz: Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major

All present enzymatic activity of Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major:
4.2.1.2;

The structure of Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major, PDB code: 6unz was solved by P.R.Feliciano, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.71 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	159.094, 66.072, 238.085, 90.00, 90.02, 90.00
R / Rfree (%)	24.5 / 28.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major (pdb code 6unz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 32 binding sites of Iron where determined in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major, PDB code: 6unz:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:53.4 occ:1.00 FE1 A:SF4601 0.0 53.4 1.0 SG A:CYS346 2.2 47.7 1.0 S2 A:SF4601 2.3 63.4 1.0 S3 A:SF4601 2.3 73.7 1.0 S4 A:SF4601 2.3 65.3 1.0 FE2 A:SF4601 2.7 77.2 1.0 FE4 A:SF4601 2.7 58.1 1.0 FE3 A:SF4601 2.7 81.7 1.0 CB A:CYS346 2.9 52.7 1.0 CB A:ALA348 3.6 53.7 1.0 S1 A:SF4601 3.9 66.9 1.0 N A:ALA348 3.9 54.7 1.0 CA A:CYS346 4.2 53.4 1.0 N A:SER347 4.3 56.7 1.0 CA A:ALA348 4.3 50.8 1.0 C A:CYS346 4.5 56.5 1.0 CB A:CYS252 4.7 62.4 1.0 OG A:SER217 4.8 47.1 1.0 SG A:CYS252 4.8 63.1 1.0 O A:ALA348 4.8 48.3 1.0 O A:ALA251 4.8 55.8 1.0 SG A:CYS133 4.9 80.3 1.0 NH1 A:ARG350 4.9 58.4 1.0 C A:ALA348 4.9 48.4 1.0 N A:CYS346 5.0 47.1 1.0

Iron binding site 2 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:77.2 occ:1.00 FE2 A:SF4601 0.0 77.2 1.0 SG A:CYS133 2.3 80.3 1.0 S4 A:SF4601 2.3 65.3 1.0 S3 A:SF4601 2.3 73.7 1.0 S1 A:SF4601 2.3 66.9 1.0 FE1 A:SF4601 2.7 53.4 1.0 FE4 A:SF4601 2.7 58.1 1.0 FE3 A:SF4601 2.7 81.7 1.0 CB A:CYS133 3.5 70.0 1.0 NE2 A:GLN134 3.9 63.1 1.0 S2 A:SF4601 3.9 63.4 1.0 CB A:ALA348 3.9 53.7 1.0 CB A:ASP135 4.3 66.8 1.0 O A:ASP135 4.4 65.8 1.0 CD A:GLN134 4.5 65.3 1.0 N A:ASP135 4.6 68.3 1.0 SG A:CYS252 4.7 63.1 1.0 OE1 A:GLN134 4.7 61.4 1.0 NH1 A:ARG350 4.7 58.4 1.0 SG A:CYS346 4.8 47.7 1.0 CA A:CYS133 4.8 69.2 1.0 NZ A:LYS491 4.8 59.3 1.0 NH2 A:ARG350 4.8 60.9 1.0 CA A:ASP135 4.9 65.6 1.0 CG A:ASP135 5.0 69.5 1.0

Iron binding site 3 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:81.7 occ:1.00 FE3 A:SF4601 0.0 81.7 1.0 S1 A:SF4601 2.3 66.9 1.0 S4 A:SF4601 2.3 65.3 1.0 S2 A:SF4601 2.3 63.4 1.0 FE2 A:SF4601 2.7 77.2 1.0 FE1 A:SF4601 2.7 53.4 1.0 FE4 A:SF4601 2.7 58.1 1.0 OD2 A:ASP135 3.8 62.7 1.0 S3 A:SF4601 3.9 73.7 1.0 CB A:ASP135 4.0 66.8 1.0 NZ A:LYS491 4.0 59.3 1.0 N A:GLY216 4.2 58.7 1.0 CG A:ASP135 4.3 69.5 1.0 CA A:GLY216 4.4 57.7 1.0 CA A:GLY214 4.4 45.5 1.0 N A:SER217 4.7 51.5 1.0 SG A:CYS133 4.7 80.3 1.0 SG A:CYS346 4.7 47.7 1.0 NE2 A:GLN134 4.7 63.1 1.0 C A:GLY214 4.8 44.7 1.0 SG A:CYS252 4.8 63.1 1.0 N A:GLY215 4.9 48.8 1.0

Iron binding site 4 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:58.1 occ:1.00 FE4 A:SF4601 0.0 58.1 1.0 SG A:CYS252 2.3 63.1 1.0 S1 A:SF4601 2.3 66.9 1.0 S3 A:SF4601 2.3 73.7 1.0 S2 A:SF4601 2.3 63.4 1.0 FE2 A:SF4601 2.7 77.2 1.0 FE1 A:SF4601 2.7 53.4 1.0 FE3 A:SF4601 2.7 81.7 1.0 NZ A:LYS491 2.9 59.3 1.0 CB A:CYS252 3.1 62.4 1.0 S4 A:SF4601 3.9 65.3 1.0 C A:ALA251 4.3 60.3 1.0 N A:CYS252 4.3 62.0 1.0 CA A:CYS252 4.3 59.7 1.0 CE A:LYS491 4.4 72.9 1.0 O A:ALA251 4.4 55.8 1.0 CB A:CYS346 4.4 52.7 1.0 NE2 A:GLN134 4.7 63.1 1.0 SG A:CYS133 4.7 80.3 1.0 SG A:CYS346 4.7 47.7 1.0 CA A:ALA251 4.8 56.2 1.0

Iron binding site 5 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:47.4 occ:1.00 FE1 B:SF4601 0.0 47.4 1.0 SG B:CYS252 2.3 42.9 1.0 S2 B:SF4601 2.3 52.3 1.0 S3 B:SF4601 2.3 35.0 1.0 S4 B:SF4601 2.3 40.1 1.0 FE4 B:SF4601 2.7 52.3 1.0 FE2 B:SF4601 2.7 74.6 1.0 FE3 B:SF4601 2.8 29.5 1.0 CB B:CYS252 2.8 48.0 1.0 NZ B:LYS491 3.8 50.5 1.0 S1 B:SF4601 3.9 35.5 1.0 CA B:CYS252 4.2 49.4 1.0 O B:ALA251 4.2 47.7 1.0 C B:ALA251 4.3 49.5 1.0 N B:CYS252 4.3 48.6 1.0 N B:GLY515 4.4 44.3 1.0 CA B:GLY515 4.5 43.1 1.0 SG B:CYS133 4.6 26.3 1.0 SG B:CYS346 4.7 49.2 1.0 C B:GLY514 4.8 43.6 1.0 CE B:LYS491 4.9 49.4 1.0 CD B:LYS491 4.9 47.3 1.0 CA B:ALA251 4.9 47.5 1.0

Iron binding site 6 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:74.6 occ:1.00 FE2 B:SF4601 0.0 74.6 1.0 S4 B:SF4601 2.3 40.1 1.0 S1 B:SF4601 2.3 35.5 1.0 S3 B:SF4601 2.3 35.0 1.0 FE1 B:SF4601 2.7 47.4 1.0 FE3 B:SF4601 2.7 29.5 1.0 FE4 B:SF4601 2.7 52.3 1.0 OD2 B:ASP135 3.2 35.8 1.0 CB B:ASP135 3.6 32.3 1.0 CG B:ASP135 3.9 34.5 1.0 S2 B:SF4601 3.9 52.3 1.0 SG B:CYS133 4.0 26.3 1.0 CA B:GLY214 4.3 39.5 1.0 NZ B:LYS491 4.3 50.5 1.0 O1 B:GOL602 4.3 41.9 1.0 NE2 B:GLN134 4.4 38.9 1.0 N B:GLY216 4.4 43.0 1.0 C B:GLY214 4.7 39.0 1.0 N B:GLY215 4.8 40.6 1.0 CA B:GLY216 4.8 43.2 1.0 SG B:CYS252 4.8 42.9 1.0 SG B:CYS346 4.9 49.2 1.0

Iron binding site 7 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:29.5 occ:1.00 FE3 B:SF4601 0.0 29.5 1.0 S1 B:SF4601 2.3 35.5 1.0 SG B:CYS133 2.3 26.3 1.0 S4 B:SF4601 2.3 40.1 1.0 S2 B:SF4601 2.3 52.3 1.0 FE2 B:SF4601 2.7 74.6 1.0 FE1 B:SF4601 2.8 47.4 1.0 FE4 B:SF4601 2.8 52.3 1.0 CB B:ALA348 3.3 45.0 1.0 CB B:CYS133 3.3 34.3 1.0 S3 B:SF4601 3.9 35.0 1.0 SG B:CYS346 4.4 49.2 1.0 CA B:GLY515 4.5 43.1 1.0 CB B:ASP135 4.5 32.3 1.0 CA B:ALA348 4.6 49.2 1.0 NE2 B:GLN134 4.6 38.9 1.0 N B:ALA348 4.7 49.1 1.0 CA B:CYS133 4.7 40.5 1.0 SG B:CYS252 4.8 42.9 1.0 O B:GLY515 5.0 45.7 1.0 NH1 B:ARG350 5.0 32.9 1.0 CB B:CYS252 5.0 48.0 1.0 NH2 B:ARG350 5.0 40.3 1.0

Iron binding site 8 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:52.3 occ:1.00 FE4 B:SF4601 0.0 52.3 1.0 SG B:CYS346 2.3 49.2 1.0 S3 B:SF4601 2.3 35.0 1.0 S2 B:SF4601 2.3 52.3 1.0 S1 B:SF4601 2.3 35.5 1.0 FE1 B:SF4601 2.7 47.4 1.0 FE2 B:SF4601 2.7 74.6 1.0 FE3 B:SF4601 2.8 29.5 1.0 CB B:CYS346 3.2 51.2 1.0 S4 B:SF4601 3.9 40.1 1.0 CB B:ALA348 4.0 45.0 1.0 O B:ALA251 4.1 47.7 1.0 CB B:CYS252 4.3 48.0 1.0 N B:ALA348 4.4 49.1 1.0 OG B:SER217 4.4 29.6 1.0 CA B:CYS346 4.6 53.5 1.0 SG B:CYS252 4.6 42.9 1.0 CA B:ALA348 4.7 49.2 1.0 CB B:SER217 4.7 33.7 1.0 C B:ALA251 4.8 49.5 1.0 N B:SER347 4.9 55.1 1.0 CA B:GLY214 4.9 39.5 1.0 SG B:CYS133 4.9 26.3 1.0 N B:SER217 5.0 45.6 1.0 C B:CYS346 5.0 56.5 1.0 O B:ALA348 5.0 48.5 1.0

Iron binding site 9 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:0.8 occ:1.00 FE1 C:SF4601 0.0 0.8 1.0 SG C:CYS133 2.3 90.8 1.0 S2 C:SF4601 2.3 96.2 1.0 S3 C:SF4601 2.3 80.2 1.0 S4 C:SF4601 2.3 84.0 1.0 FE4 C:SF4601 2.7 82.0 1.0 FE2 C:SF4601 2.7 81.2 1.0 FE3 C:SF4601 2.7 0.2 1.0 CB C:CYS133 3.6 87.8 1.0 NE2 C:GLN134 3.6 78.7 1.0 CB C:ALA348 3.6 70.4 1.0 S1 C:SF4601 3.9 86.2 1.0 CB C:ASP135 4.3 84.5 1.0 CD C:GLN134 4.3 83.8 1.0 N C:ALA348 4.4 69.1 1.0 OE1 C:GLN134 4.5 84.9 1.0 CA C:GLY515 4.6 84.9 1.0 CA C:ALA348 4.6 70.3 1.0 SG C:CYS346 4.7 63.8 1.0 SG C:CYS252 4.8 81.0 1.0 CA C:CYS133 4.8 91.5 1.0 N C:GLY515 4.9 83.2 1.0 NZ C:LYS491 4.9 77.8 1.0

Iron binding site 10 out of 32 in the Crystal Structure of Cytosolic Fumarate Hydratase From Leishmania Major


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 Cytosolic Fumarate Hydratase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:81.2 occ:1.00 FE2 C:SF4601 0.0 81.2 1.0 SG C:CYS252 2.3 81.0 1.0 S1 C:SF4601 2.3 86.2 1.0 S4 C:SF4601 2.3 84.0 1.0 S3 C:SF4601 2.3 80.2 1.0 FE3 C:SF4601 2.7 0.2 1.0 FE1 C:SF4601 2.7 0.8 1.0 FE4 C:SF4601 2.7 82.0 1.0 NZ C:LYS491 2.9 77.8 1.0 CB C:CYS252 3.2 79.1 1.0 CE C:LYS491 3.6 79.5 1.0 S2 C:SF4601 3.9 96.2 1.0 N C:CYS252 4.1 82.3 1.0 C C:ALA251 4.2 78.2 1.0 CA C:CYS252 4.3 80.9 1.0 C C:GLY514 4.5 83.4 1.0 O C:ALA251 4.5 73.8 1.0 N C:GLY515 4.5 83.2 1.0 CA C:ALA251 4.5 77.5 1.0 CD C:LYS491 4.5 77.9 1.0 NE2 C:GLN134 4.7 78.7 1.0 CB C:CYS346 4.7 74.9 1.0 O C:GLY514 4.7 85.5 1.0 SG C:CYS133 4.7 90.8 1.0 CB C:SER347 4.8 76.6 1.0 CA C:GLY514 4.8 82.4 1.0 SG C:CYS346 4.8 63.8 1.0 CA C:GLY515 4.8 84.9 1.0 N C:SER347 4.9 73.9 1.0 O C:ALA250 4.9 81.7 1.0

P.R.Feliciano, C.L.Drennan. Structural and Biochemical Investigations of the [4FE-4S] Cluster-Containing Fumarate Hydratase Fromleishmania Major. Biochemistry 2019.
ISSN: ISSN 0006-2960
PubMed: 31743022
DOI: 10.1021/ACS.BIOCHEM.9B00923