Iron in PDB 3jsk: Thiazole Synthase From Neurospora Crassa

The structure of Thiazole Synthase From Neurospora Crassa, PDB code: 3jsk was solved by Y.N.Kang, S.Bale, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.98 / 2.70
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	158.237, 125.914, 158.208, 90.00, 90.22, 90.00
R / Rfree (%)	20.2 / 24.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Thiazole Synthase From Neurospora Crassa (pdb code 3jsk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Thiazole Synthase From Neurospora Crassa, PDB code: 3jsk:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe345 b:0.0 occ:1.00 N3T A:AHZ500 2.4 36.7 1.0 NE2 A:HIS249 2.6 42.6 1.0 O1R A:AHZ500 3.0 33.6 1.0 C4T A:AHZ500 3.3 35.5 1.0 C2T A:AHZ500 3.4 35.9 1.0 CD2 A:HIS249 3.5 42.9 1.0 OD1 F:ASP234 3.5 43.0 1.0 C1M A:AHZ500 3.6 36.5 1.0 C1R A:AHZ500 3.6 36.1 1.0 CE1 A:HIS249 3.7 42.7 1.0 NH2 A:ARG311 4.0 29.7 1.0 O A:HOH364 4.5 16.2 1.0 C5T A:AHZ500 4.6 36.1 1.0 CD F:PRO235 4.6 31.7 1.0 CG A:HIS249 4.7 43.6 1.0 CG F:ASP234 4.7 40.6 1.0 ND1 A:HIS249 4.8 43.3 1.0 CA F:ASP234 4.8 35.1 1.0 S1T A:AHZ500 4.8 37.5 1.0 O2R A:AHZ500 4.9 35.6 1.0

Iron binding site 2 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe345 b:94.0 occ:1.00 N3T B:AHZ500 2.2 54.1 1.0 NE2 B:HIS249 2.7 42.4 1.0 C4T B:AHZ500 3.1 53.8 1.0 C1M B:AHZ500 3.2 54.7 1.0 C2T B:AHZ500 3.3 55.1 1.0 O1R B:AHZ500 3.4 58.1 1.0 OD1 H:ASP234 3.6 40.0 1.0 CE1 B:HIS249 3.6 42.6 1.0 NH2 B:ARG311 3.7 33.9 1.0 C1R B:AHZ500 3.7 56.9 1.0 CD2 B:HIS249 3.7 43.7 1.0 C5T B:AHZ500 4.4 52.8 1.0 CD H:PRO235 4.5 30.6 1.0 S1T B:AHZ500 4.7 53.2 1.0 ND1 B:HIS249 4.8 43.9 1.0 CG H:ASP234 4.8 38.8 1.0 O2R B:AHZ500 4.8 58.3 1.0 CA H:ASP234 4.8 33.7 1.0 CG B:HIS249 4.9 44.6 1.0 CZ B:ARG311 4.9 35.6 1.0

Iron binding site 3 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe345 b:0.0 occ:1.00 NE2 C:HIS249 2.5 42.7 1.0 N3T C:AHZ500 2.7 47.2 1.0 O1R C:AHZ500 3.2 51.2 1.0 CE1 C:HIS249 3.2 42.8 1.0 NH2 C:ARG311 3.4 31.7 1.0 CD2 C:HIS249 3.6 43.6 1.0 C4T C:AHZ500 3.6 47.1 1.0 C2T C:AHZ500 3.6 48.3 1.0 C1M C:AHZ500 3.7 46.0 1.0 OD1 A:ASP234 3.8 41.7 1.0 C1R C:AHZ500 3.9 50.2 1.0 ND1 C:HIS249 4.5 43.8 1.0 CD A:PRO235 4.5 32.6 1.0 CZ C:ARG311 4.5 32.6 1.0 CG C:HIS249 4.6 43.2 1.0 C5T C:AHZ500 4.9 46.3 1.0 CA A:ASP234 5.0 35.5 1.0

Iron binding site 4 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe345 b:97.7 occ:1.00 N3T D:AHZ500 2.4 52.4 1.0 NE2 D:HIS249 2.7 45.6 1.0 C4T D:AHZ500 3.2 51.9 1.0 C1M D:AHZ500 3.2 52.8 1.0 NH2 D:ARG311 3.3 34.0 1.0 O1R D:AHZ500 3.4 57.5 1.0 C2T D:AHZ500 3.4 54.4 1.0 CD2 D:HIS249 3.5 45.2 1.0 OD1 B:ASP234 3.6 38.3 1.0 CE1 D:HIS249 3.8 46.0 1.0 C1R D:AHZ500 3.9 56.5 1.0 CD B:PRO235 4.4 32.7 1.0 C5T D:AHZ500 4.5 51.7 1.0 CZ D:ARG311 4.6 34.6 1.0 CG D:HIS249 4.7 45.7 1.0 CG B:ASP234 4.8 37.7 1.0 CA B:ASP234 4.8 35.0 1.0 S1T D:AHZ500 4.9 52.2 1.0 ND1 D:HIS249 4.9 45.8 1.0

Iron binding site 5 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe345 b:0.0 occ:1.00 N3T E:AHZ500 2.5 55.3 1.0 NE2 E:HIS249 2.6 43.1 1.0 C4T E:AHZ500 3.3 54.1 1.0 O1R E:AHZ500 3.3 58.5 1.0 C1M E:AHZ500 3.4 54.1 1.0 CE1 E:HIS249 3.4 43.4 1.0 C2T E:AHZ500 3.5 55.9 1.0 CD2 E:HIS249 3.7 43.8 1.0 NH2 E:ARG311 3.9 30.8 1.0 C1R E:AHZ500 3.9 57.4 1.0 OD1 D:ASP234 3.9 41.0 1.0 ND1 E:HIS249 4.6 43.9 1.0 C5T E:AHZ500 4.6 53.6 1.0 CD D:PRO235 4.7 32.4 1.0 CG E:HIS249 4.8 44.2 1.0 S1T E:AHZ500 5.0 53.5 1.0

Iron binding site 6 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe345 b:88.7 occ:1.00 N3T F:AHZ500 2.7 46.0 1.0 NE2 F:HIS249 2.7 43.0 1.0 O1R F:AHZ500 3.3 49.5 1.0 C4T F:AHZ500 3.5 46.4 1.0 CE1 F:HIS249 3.5 43.3 1.0 C1M F:AHZ500 3.6 46.3 1.0 C2T F:AHZ500 3.6 46.9 1.0 CD2 F:HIS249 3.7 42.8 1.0 OD1 G:ASP234 3.8 39.8 1.0 C1R F:AHZ500 3.9 48.6 1.0 NH2 F:ARG311 4.0 31.0 1.0 CD G:PRO235 4.7 33.8 1.0 ND1 F:HIS249 4.7 44.1 1.0 CG F:HIS249 4.8 43.5 1.0 C5T F:AHZ500 4.8 45.4 1.0 CA G:ASP234 4.9 34.3 1.0 O G:MET233 4.9 31.8 1.0 CG G:ASP234 5.0 39.9 1.0

Iron binding site 7 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe345 b:87.9 occ:1.00 NE2 G:HIS249 2.3 44.6 1.0 N3T G:AHZ500 2.4 50.8 1.0 CE1 G:HIS249 3.1 44.9 1.0 C4T G:AHZ500 3.2 49.5 1.0 O1R G:AHZ500 3.3 51.6 1.0 C1M G:AHZ500 3.3 51.3 1.0 CD2 G:HIS249 3.4 44.2 1.0 C2T G:AHZ500 3.5 50.8 1.0 OD1 C:ASP234 3.6 41.3 1.0 C1R G:AHZ500 3.9 51.3 1.0 NH2 G:ARG311 3.9 31.0 1.0 ND1 G:HIS249 4.3 45.2 1.0 CG G:HIS249 4.5 45.0 1.0 C5T G:AHZ500 4.6 49.0 1.0 CD C:PRO235 4.6 33.5 1.0 CG C:ASP234 4.8 38.6 1.0 S1T G:AHZ500 4.9 48.6 1.0 CA C:ASP234 4.9 33.6 1.0

Iron binding site 8 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe345 b:0.0 occ:1.00 NE2 H:HIS249 2.3 45.2 1.0 N3T H:AHZ500 2.6 57.1 1.0 CE1 H:HIS249 3.1 46.1 1.0 CD2 H:HIS249 3.4 45.7 1.0 C4T H:AHZ500 3.4 55.9 1.0 C1M H:AHZ500 3.4 55.0 1.0 NH2 H:ARG311 3.5 31.6 1.0 C2T H:AHZ500 3.6 58.1 1.0 O1R H:AHZ500 3.8 59.9 1.0 C1R H:AHZ500 4.1 60.0 1.0 OD1 E:ASP234 4.2 39.9 1.0 ND1 H:HIS249 4.2 46.2 1.0 CG H:HIS249 4.4 46.3 1.0 CZ H:ARG311 4.7 33.8 1.0 C5T H:AHZ500 4.7 54.1 1.0 CD E:PRO235 5.0 32.6 1.0

Iron binding site 9 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe345 b:0.0 occ:1.00 NE2 I:HIS249 2.3 44.3 1.0 N3T I:AHZ500 2.4 46.2 1.0 CE1 I:HIS249 3.1 44.3 1.0 C4T I:AHZ500 3.3 45.4 1.0 O1R I:AHZ500 3.3 49.6 1.0 CD2 I:HIS249 3.4 44.5 1.0 C1M I:AHZ500 3.4 46.5 1.0 C2T I:AHZ500 3.4 46.9 1.0 OD1 N:ASP234 3.7 40.8 1.0 C1R I:AHZ500 3.8 47.5 1.0 NH2 I:ARG311 4.0 31.9 1.0 ND1 I:HIS249 4.3 45.3 1.0 CG I:HIS249 4.5 45.2 1.0 C5T I:AHZ500 4.6 45.4 1.0 CD N:PRO235 4.8 33.6 1.0 O2R I:AHZ500 4.9 47.1 1.0 S1T I:AHZ500 4.9 45.5 1.0 CG N:ASP234 4.9 38.6 1.0 CA N:ASP234 5.0 33.9 1.0

Iron binding site 10 out of 16 in the Thiazole Synthase From Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Thiazole Synthase From Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ J:Fe345 b:0.0 occ:1.00 N3T J:AHZ500 2.4 54.8 1.0 NE2 J:HIS249 2.7 44.6 1.0 O1R J:AHZ500 2.9 55.7 1.0 C2T J:AHZ500 3.2 54.4 1.0 C4T J:AHZ500 3.3 54.4 1.0 NH2 J:ARG311 3.5 31.7 1.0 C1R J:AHZ500 3.5 55.5 1.0 C1M J:AHZ500 3.6 53.5 1.0 CE1 J:HIS249 3.6 44.8 1.0 OD1 P:ASP234 3.7 41.5 1.0 CD2 J:HIS249 3.7 44.7 1.0 CD P:PRO235 4.4 31.8 1.0 C5T J:AHZ500 4.6 53.2 1.0 CZ J:ARG311 4.6 35.2 1.0 S1T J:AHZ500 4.7 53.6 1.0 O2R J:AHZ500 4.7 57.2 1.0 ND1 J:HIS249 4.8 45.5 1.0 CG J:HIS249 4.8 45.4 1.0 CG P:ASP234 4.8 39.1 1.0 CA P:ASP234 4.9 34.2 1.0

Y.N.Kang, S.Bale, T.P.Begley, S.E.Ealick. Crystal Structure of Thiazole Synthase THI4 From Neurospora Crassa To Be Published.