Iron in PDB 2fjc: Crystal Structure of Antigen TPF1 From Treponema Pallidum

The structure of Crystal Structure of Antigen TPF1 From Treponema Pallidum, PDB code: 2fjc was solved by A.Thumiger, A.Polenghi, E.Papinutto, R.Battistutta, C.Montecucco, G.Zanotti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.37 / 2.50
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.921, 184.921, 154.883, 90.00, 90.00, 120.00
R / Rfree (%)	22.7 / 25.2

Pages:

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

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Antigen TPF1 From Treponema Pallidum (pdb code 2fjc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Crystal Structure of Antigen TPF1 From Treponema Pallidum, PDB code: 2fjc:
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 Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:71.4 occ:1.00 NE2 D:HIS57 2.3 45.1 1.0 OE2 A:GLU88 2.4 60.3 1.0 OD2 A:ASP84 2.4 50.3 1.0 CD2 D:HIS57 3.0 45.5 1.0 OD1 A:ASP84 3.0 50.2 1.0 CG A:ASP84 3.1 49.8 1.0 CE1 D:HIS57 3.4 46.2 1.0 CD A:GLU88 3.6 59.4 1.0 OH D:TYR76 4.0 40.6 1.0 NE2 D:HIS69 4.0 35.4 1.0 CE1 D:HIS69 4.1 36.2 1.0 CG D:HIS57 4.2 46.1 1.0 CG A:GLU88 4.2 55.6 1.0 NE1 D:TRP58 4.3 37.9 1.0 ND1 D:HIS57 4.4 46.9 1.0 CB A:ASP84 4.5 47.0 1.0 CD1 D:TRP58 4.5 36.3 1.0 OE1 A:GLU88 4.6 59.1 1.0 O A:ASP84 5.0 43.5 1.0

Iron binding site 2 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:52.8 occ:1.00 OD2 B:ASP84 2.1 41.2 1.0 NE2 C:HIS57 2.2 33.0 1.0 OE2 B:GLU88 2.4 44.1 1.0 CG B:ASP84 3.0 41.0 1.0 CD2 C:HIS57 3.1 31.4 1.0 OE1 B:GLU88 3.1 45.7 1.0 OD1 B:ASP84 3.1 42.0 1.0 CD B:GLU88 3.1 43.8 1.0 CE1 C:HIS57 3.3 31.6 1.0 NE2 C:HIS69 3.6 36.0 1.0 CE1 C:HIS69 3.9 36.2 1.0 OH C:TYR76 4.0 32.2 1.0 CG C:HIS57 4.3 33.2 1.0 ND1 C:HIS57 4.3 32.6 1.0 CB B:ASP84 4.4 38.5 1.0 CG B:GLU88 4.6 43.0 1.0 NE1 C:TRP58 4.6 34.0 1.0 CD2 C:HIS69 4.8 37.7 1.0 CD1 C:TRP58 4.9 30.6 1.0 OE2 C:GLU73 4.9 47.7 1.0

Iron binding site 3 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe603 b:53.9 occ:1.00 OD2 C:ASP84 2.1 47.8 1.0 OE2 C:GLU88 2.4 48.2 1.0 NE2 B:HIS57 2.5 29.8 1.0 OD1 C:ASP84 2.6 47.1 1.0 CG C:ASP84 2.7 46.6 1.0 CD C:GLU88 2.9 47.4 1.0 CD2 B:HIS57 3.1 29.4 1.0 OE1 C:GLU88 3.3 49.1 1.0 O C:HOH621 3.4 34.9 1.0 CE1 B:HIS57 3.6 30.4 1.0 CG C:GLU88 3.9 45.5 1.0 OH B:TYR76 3.9 37.4 1.0 NE2 B:HIS69 4.0 33.5 1.0 CB C:ASP84 4.1 43.4 1.0 CE1 B:HIS69 4.2 33.4 1.0 NE1 B:TRP58 4.3 31.6 1.0 CG B:HIS57 4.4 32.1 1.0 ND1 B:HIS57 4.6 32.8 1.0 CD1 B:TRP58 4.7 29.3 1.0 O C:ASP84 4.7 40.6 1.0 CA C:ASP84 5.0 41.3 1.0

Iron binding site 4 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe604 b:78.8 occ:1.00 NE2 A:HIS57 2.2 39.9 1.0 OD2 D:ASP84 2.3 48.7 1.0 OE2 D:GLU88 2.6 54.4 1.0 CD2 A:HIS57 2.9 38.6 1.0 OD1 D:ASP84 2.9 48.6 1.0 CG D:ASP84 3.0 48.6 1.0 CD D:GLU88 3.2 53.7 1.0 CE1 A:HIS57 3.3 40.0 1.0 O G:HOH632 3.6 45.9 1.0 NE2 A:HIS69 3.8 35.6 1.0 CE1 A:HIS69 3.8 35.6 1.0 CG D:GLU88 3.9 50.4 1.0 OE1 D:GLU88 4.0 54.1 1.0 NE1 A:TRP58 4.1 33.5 1.0 CG A:HIS57 4.1 38.8 1.0 OH A:TYR76 4.2 37.9 1.0 ND1 A:HIS57 4.3 39.9 1.0 CD1 A:TRP58 4.3 31.3 1.0 O D:HOH612 4.4 44.8 1.0 CB D:ASP84 4.5 46.5 1.0 O D:ASP84 5.0 42.6 1.0 ND1 A:HIS69 5.0 37.8 1.0 CD2 A:HIS69 5.0 36.7 1.0

Iron binding site 5 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe605 b:66.2 occ:1.00 OE2 E:GLU88 1.9 47.2 1.0 OD2 E:ASP84 2.1 49.3 1.0 NE2 H:HIS57 2.1 41.3 1.0 CG E:ASP84 3.0 46.7 1.0 CD E:GLU88 3.1 48.3 1.0 CD2 H:HIS57 3.1 38.6 1.0 CE1 H:HIS57 3.2 40.4 1.0 OD1 E:ASP84 3.2 45.2 1.0 OE1 E:GLU88 3.7 50.2 1.0 NE2 H:HIS69 3.7 39.6 1.0 CE1 H:HIS69 3.9 38.5 1.0 OH H:TYR76 4.1 38.9 1.0 CG E:GLU88 4.2 45.8 1.0 ND1 H:HIS57 4.3 39.7 1.0 CG H:HIS57 4.3 39.9 1.0 O H:HOH623 4.4 55.2 1.0 CB E:ASP84 4.5 44.0 1.0 NE1 H:TRP58 4.5 35.2 1.0 CD1 H:TRP58 4.7 37.5 1.0 CD2 H:HIS69 4.8 39.7 1.0 ND1 H:HIS69 5.0 39.6 1.0

Iron binding site 6 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe606 b:53.4 occ:1.00 OE2 F:GLU88 2.1 46.0 1.0 OD2 F:ASP84 2.2 50.5 1.0 NE2 G:HIS57 2.4 32.7 1.0 CD F:GLU88 2.8 46.5 1.0 CG F:ASP84 3.0 46.8 1.0 CD2 G:HIS57 3.1 33.5 1.0 OD1 F:ASP84 3.1 48.0 1.0 OE1 F:GLU88 3.3 47.7 1.0 CE1 G:HIS57 3.5 32.3 1.0 NE2 G:HIS69 3.7 31.6 1.0 CE1 G:HIS69 3.9 32.8 1.0 CG F:GLU88 3.9 43.3 1.0 OH G:TYR76 4.0 36.1 1.0 O G:HOH640 4.2 45.5 1.0 CG G:HIS57 4.3 34.7 1.0 CB F:ASP84 4.4 42.5 1.0 NE1 G:TRP58 4.5 31.9 1.0 ND1 G:HIS57 4.5 35.7 1.0 CD1 G:TRP58 4.7 31.2 1.0 CD2 G:HIS69 4.8 33.4 1.0 O F:ASP84 4.9 36.8 1.0 OE2 G:GLU73 5.0 47.9 1.0

Iron binding site 7 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe607 b:70.0 occ:1.00 OD2 G:ASP84 2.0 48.4 1.0 NE2 F:HIS57 2.3 35.6 1.0 OE2 G:GLU88 2.5 54.2 1.0 CG G:ASP84 3.0 46.6 1.0 CD2 F:HIS57 3.2 35.0 1.0 O F:HOH615 3.3 29.5 1.0 CD G:GLU88 3.3 52.9 1.0 CE1 F:HIS57 3.4 34.5 1.0 OD1 G:ASP84 3.4 45.7 1.0 NE2 F:HIS69 3.9 38.1 1.0 OH F:TYR76 3.9 40.5 1.0 OE1 G:GLU88 3.9 54.0 1.0 CE1 F:HIS69 4.1 40.8 1.0 CG G:GLU88 4.2 50.4 1.0 CG F:HIS57 4.4 35.0 1.0 CB G:ASP84 4.4 43.6 1.0 ND1 F:HIS57 4.4 37.0 1.0 NE1 F:TRP58 4.7 32.2 1.0 OE2 F:GLU73 4.8 48.5 1.0 CD2 F:HIS69 5.0 36.4 1.0 CD1 F:TRP58 5.0 30.9 1.0

Iron binding site 8 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe608 b:61.4 occ:1.00 NE2 E:HIS57 2.1 42.6 1.0 OE2 H:GLU88 2.4 49.4 1.0 OD2 H:ASP84 2.4 50.4 1.0 OD1 H:ASP84 2.9 46.9 1.0 CD2 E:HIS57 2.9 40.0 1.0 CG H:ASP84 3.0 48.2 1.0 CE1 E:HIS57 3.2 42.2 1.0 CD H:GLU88 3.2 49.7 1.0 OE1 H:GLU88 3.6 51.7 1.0 OH E:TYR76 3.8 34.2 1.0 NE2 E:HIS69 3.9 39.8 1.0 CE1 E:HIS69 4.0 40.6 1.0 CG E:HIS57 4.1 40.1 1.0 ND1 E:HIS57 4.2 42.2 1.0 CG H:GLU88 4.2 47.0 1.0 NE1 E:TRP58 4.5 35.7 1.0 CB H:ASP84 4.5 44.6 1.0 CD1 E:TRP58 4.8 34.4 1.0 OE2 E:GLU73 4.8 49.6 1.0 CZ E:TYR76 5.0 34.1 1.0 CD2 E:HIS69 5.0 38.1 1.0

Iron binding site 9 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe609 b:72.8 occ:1.00 OD2 I:ASP84 2.2 51.9 1.0 NE2 L:HIS57 2.2 42.7 1.0 OE2 I:GLU88 2.4 56.9 1.0 CD2 L:HIS57 2.9 40.8 1.0 CG I:ASP84 3.4 50.3 1.0 CE1 L:HIS57 3.4 41.7 1.0 CD I:GLU88 3.4 54.3 1.0 O D:HOH616 3.5 62.9 1.0 NE2 L:HIS69 3.8 40.8 1.0 OD1 I:ASP84 3.9 53.0 1.0 OH L:TYR76 3.9 43.9 1.0 CE1 L:HIS69 4.0 40.7 1.0 OE1 I:GLU88 4.2 55.6 1.0 CG L:HIS57 4.2 40.5 1.0 CG I:GLU88 4.3 52.0 1.0 ND1 L:HIS57 4.4 41.5 1.0 NE1 L:TRP58 4.4 34.2 1.0 CB I:ASP84 4.5 47.3 1.0 CD1 L:TRP58 4.6 34.5 1.0 CD2 L:HIS69 4.9 40.6 1.0

Iron binding site 10 out of 16 in the Crystal Structure of Antigen TPF1 From Treponema Pallidum


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 Antigen TPF1 From Treponema Pallidum within 5.0Å range: probe atom residue distance (Å) B Occ J:Fe610 b:50.3 occ:1.00 OD2 J:ASP84 2.2 46.0 1.0 NE2 K:HIS57 2.2 34.0 1.0 OE2 J:GLU88 2.3 50.2 1.0 OD1 J:ASP84 2.7 43.7 1.0 CG J:ASP84 2.8 45.2 1.0 CD2 K:HIS57 3.0 35.3 1.0 CD J:GLU88 3.1 49.2 1.0 CE1 K:HIS57 3.3 34.4 1.0 OE1 J:GLU88 3.7 51.1 1.0 NE2 K:HIS69 3.8 32.8 1.0 OH K:TYR76 3.9 38.6 1.0 CE1 K:HIS69 4.0 33.4 1.0 CG J:GLU88 4.0 45.7 1.0 CG K:HIS57 4.2 35.5 1.0 CB J:ASP84 4.3 41.9 1.0 ND1 K:HIS57 4.3 36.1 1.0 NE1 K:TRP58 4.4 30.1 1.0 CD1 K:TRP58 4.7 30.8 1.0 CD2 K:HIS69 4.9 32.1 1.0 OE2 K:GLU73 4.9 48.2 1.0 O J:ASP84 5.0 40.9 1.0

A.Thumiger, A.Polenghi, E.Papinutto, R.Battistutta, C.Montecucco, G.Zanotti. Crystal Structure of Antigen TPF1 From Treponema Pallidum. Proteins V. 62 827 2006.
ISSN: ISSN 0887-3585
PubMed: 16345079
DOI: 10.1002/PROT.20828