Iron in PDB 1r1n: Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae

The structure of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae, PDB code: 1r1n was solved by H.Zhu, D.Alexeev, D.J.Hunter, D.J.Campopiano, P.J.Sadler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.74
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	146.500, 146.500, 114.969, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 30

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Iron atom in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae (pdb code 1r1n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 27 binding sites of Iron where determined in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae, PDB code: 1r1n:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:50.5 occ:1.00 FE1 A:CNB400 0.0 50.5 1.0 O12 A:CNB400 2.1 53.3 1.0 O1A A:CNB400 2.1 33.6 1.0 O13 A:CNB400 2.1 50.0 1.0 O1B A:CNB400 2.1 43.0 1.0 OH A:TYR195 2.2 38.4 1.0 OH A:TYR196 2.3 55.0 1.0 FE3 A:CNB400 3.2 52.0 1.0 CZ A:TYR196 3.2 51.4 1.0 CE1 A:TYR196 3.3 45.0 1.0 FE2 A:CNB400 3.4 54.3 1.0 CZ A:TYR195 3.5 36.7 1.0 O A:HOH488 3.5 21.9 1.0 O23 A:CNB400 3.9 35.9 1.0 O3B A:CNB400 3.9 33.2 1.0 O2U A:CNB400 3.9 29.6 1.0 O A:HOH692 4.0 41.9 1.0 CE1 A:TYR195 4.1 36.7 1.0 CE2 A:TYR196 4.4 52.1 1.0 CE2 A:TYR195 4.6 33.6 1.0 ND2 A:ASN175 4.6 12.2 1.0 O3U A:CNB400 4.6 51.2 1.0 CD1 A:TYR196 4.7 44.1 1.0 ND2 A:ASN193 4.8 17.6 1.0 O2A A:CNB400 4.9 51.0 1.0

Iron binding site 2 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:54.3 occ:1.00 FE2 A:CNB400 0.0 54.3 1.0 OH A:TYR196 1.9 55.0 1.0 O2B A:CNB400 2.1 42.5 1.0 O23 A:CNB400 2.1 35.9 1.0 O2A A:CNB400 2.1 51.0 1.0 O12 A:CNB400 2.1 53.3 1.0 O2U A:CNB400 2.1 29.6 1.0 CZ A:TYR196 2.6 51.4 1.0 CE2 A:TYR196 3.3 52.1 1.0 FE1 A:CNB400 3.4 50.5 1.0 FE3 A:CNB400 3.5 52.0 1.0 CE1 A:TYR196 3.5 45.0 1.0 O A:HOH692 3.6 41.9 1.0 O13 A:CNB400 3.7 50.0 1.0 O A:HOH488 3.9 21.9 1.0 O1B A:CNB400 4.1 43.0 1.0 O3U A:CNB400 4.4 51.2 1.0 O A:HOH662 4.4 37.9 1.0 CD2 A:TYR196 4.5 49.3 1.0 ND2 A:ASN175 4.6 12.2 1.0 CD1 A:TYR196 4.6 44.1 1.0 O3A A:CNB400 4.7 41.1 1.0 OH A:TYR195 4.9 38.4 1.0

Iron binding site 3 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:52.0 occ:1.00 FE3 A:CNB400 0.0 52.0 1.0 O3B A:CNB400 2.1 33.2 1.0 O13 A:CNB400 2.1 50.0 1.0 O23 A:CNB400 2.1 35.9 1.0 O3A A:CNB400 2.1 41.1 1.0 O3U A:CNB400 2.1 51.2 1.0 OH A:TYR196 2.3 55.0 1.0 FE1 A:CNB400 3.2 50.5 1.0 CZ A:TYR196 3.2 51.4 1.0 FE2 A:CNB400 3.5 54.3 1.0 CE2 A:TYR196 3.5 52.1 1.0 O12 A:CNB400 3.8 53.3 1.0 OH A:TYR195 3.9 38.4 1.0 CE1 A:TYR195 4.0 36.7 1.0 O A:HOH662 4.2 37.9 1.0 CE1 A:TYR196 4.4 45.0 1.0 CZ A:TYR195 4.4 36.7 1.0 O2A A:CNB400 4.7 51.0 1.0 O1A A:CNB400 4.8 33.6 1.0 CD2 A:TYR196 4.8 49.3 1.0 O A:HOH692 4.8 41.9 1.0 O2B A:CNB400 4.9 42.5 1.0

Iron binding site 4 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:63.6 occ:1.00 FE1 B:CNB400 0.0 63.6 1.0 O13 B:CNB400 2.1 52.9 1.0 O1A B:CNB400 2.1 35.3 1.0 O1B B:CNB400 2.1 33.5 1.0 O12 B:CNB400 2.1 47.5 1.0 OH B:TYR196 2.2 77.0 1.0 OH B:TYR195 2.2 48.6 1.0 CZ B:TYR196 3.1 71.6 1.0 FE3 B:CNB400 3.2 72.9 1.0 FE2 B:CNB400 3.4 84.2 1.0 CE1 B:TYR196 3.4 68.2 1.0 CZ B:TYR195 3.5 45.9 1.0 O3B B:CNB400 3.7 43.9 1.0 O23 B:CNB400 3.8 50.8 1.0 CE1 B:TYR195 4.1 46.8 1.0 CE2 B:TYR196 4.3 70.9 1.0 O2U B:CNB400 4.3 44.1 1.0 O B:HOH680 4.4 47.6 1.0 CE2 B:TYR195 4.6 42.1 1.0 O3U B:CNB400 4.8 32.9 1.0 CD1 B:TYR196 4.8 65.3 1.0 O2A B:CNB400 4.8 57.2 1.0 O3A B:CNB400 4.9 57.1 1.0

Iron binding site 5 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:84.2 occ:1.00 FE2 B:CNB400 0.0 84.2 1.0 OH B:TYR196 2.0 77.0 1.0 O12 B:CNB400 2.1 47.5 1.0 O23 B:CNB400 2.1 50.8 1.0 O2B B:CNB400 2.1 46.1 1.0 O2U B:CNB400 2.1 44.1 1.0 O2A B:CNB400 2.1 57.2 1.0 CZ B:TYR196 2.8 71.6 1.0 FE3 B:CNB400 3.3 72.9 1.0 FE1 B:CNB400 3.4 63.6 1.0 O1B B:CNB400 3.5 33.5 1.0 CE1 B:TYR196 3.5 68.2 1.0 CE2 B:TYR196 3.7 70.9 1.0 O13 B:CNB400 3.8 52.9 1.0 O B:HOH667 4.0 44.5 1.0 O B:HOH649 4.5 41.3 1.0 ND2 B:ASN175 4.6 46.5 1.0 O3U B:CNB400 4.6 32.9 1.0 O B:HOH680 4.7 47.6 1.0 O3A B:CNB400 4.7 57.1 1.0 CD1 B:TYR196 4.8 65.3 1.0 CD2 B:TYR196 4.8 68.1 1.0 OH B:TYR195 4.9 48.6 1.0

Iron binding site 6 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:72.9 occ:1.00 FE3 B:CNB400 0.0 72.9 1.0 O3A B:CNB400 2.1 57.1 1.0 O3U B:CNB400 2.1 32.9 1.0 O13 B:CNB400 2.1 52.9 1.0 O23 B:CNB400 2.1 50.8 1.0 O3B B:CNB400 2.1 43.9 1.0 OH B:TYR196 2.2 77.0 1.0 CZ B:TYR196 3.1 71.6 1.0 FE1 B:CNB400 3.2 63.6 1.0 CE2 B:TYR196 3.2 70.9 1.0 FE2 B:CNB400 3.3 84.2 1.0 O12 B:CNB400 3.8 47.5 1.0 O2B B:CNB400 4.2 46.1 1.0 OH B:TYR195 4.2 48.6 1.0 O B:HOH667 4.3 44.5 1.0 CE1 B:TYR196 4.4 68.2 1.0 CE1 B:TYR195 4.4 46.8 1.0 CD2 B:TYR196 4.6 68.1 1.0 O B:HOH665 4.7 44.3 1.0 CZ B:TYR195 4.8 45.9 1.0 O2A B:CNB400 4.8 57.2 1.0 O1A B:CNB400 4.8 35.3 1.0 O1B B:CNB400 4.9 33.5 1.0 ND1 B:HIS9 5.0 67.7 1.0

Iron binding site 7 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe400 b:56.4 occ:1.00 FE1 C:CN1400 0.0 56.4 1.0 O13 C:CN1400 2.1 42.6 1.0 O1B C:CN1400 2.1 52.3 1.0 O12 C:CN1400 2.1 30.8 1.0 O1A C:CN1400 2.1 38.3 1.0 O1U C:CN1400 2.1 48.8 1.0 OH C:TYR196 2.2 51.6 1.0 CZ C:TYR196 2.8 50.2 1.0 FE3 C:CN1400 3.0 56.1 1.0 CE1 C:TYR196 3.4 47.8 1.0 FE2 C:CN1400 3.4 54.4 1.0 CE2 C:TYR196 3.6 50.3 1.0 OH C:TYR195 3.7 50.2 1.0 O23 C:CN1400 3.8 61.4 1.0 CE1 C:TYR195 3.9 46.5 1.0 O3B C:CN1400 4.3 49.3 1.0 CZ C:TYR195 4.3 46.1 1.0 O3A C:CN1400 4.4 46.5 1.0 O C:HOH662 4.4 50.6 1.0 CD1 C:TYR196 4.5 48.9 1.0 CD2 C:TYR196 4.6 52.0 1.0 O C:HOH429 4.7 19.8 1.0 O3U C:CN1400 4.8 50.8 1.0 O2A C:CN1400 4.9 38.0 1.0 O2U C:CN1400 5.0 36.6 1.0

Iron binding site 8 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe400 b:54.4 occ:1.00 FE2 C:CN1400 0.0 54.4 1.0 O23 C:CN1400 2.1 61.4 1.0 O12 C:CN1400 2.1 30.8 1.0 O2A C:CN1400 2.1 38.0 1.0 O2B C:CN1400 2.1 35.4 1.0 O2U C:CN1400 2.2 36.6 1.0 OH C:TYR196 2.2 51.6 1.0 FE3 C:CN1400 3.2 56.1 1.0 CZ C:TYR196 3.2 50.2 1.0 FE1 C:CN1400 3.4 56.4 1.0 O3U C:CN1400 3.5 50.8 1.0 CE1 C:TYR196 3.6 47.8 1.0 ND2 C:ASN175 3.9 28.7 1.0 O C:HOH662 3.9 50.6 1.0 O13 C:CN1400 4.0 42.6 1.0 OH C:TYR195 4.3 50.2 1.0 CE2 C:TYR196 4.4 50.3 1.0 O C:HOH604 4.4 40.1 1.0 OG C:SER139 4.6 39.0 1.0 O3A C:CN1400 4.8 46.5 1.0 O1U C:CN1400 4.8 48.8 1.0 O1A C:CN1400 4.9 38.3 1.0

Iron binding site 9 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe400 b:56.1 occ:1.00 FE3 C:CN1400 0.0 56.1 1.0 OH C:TYR196 2.1 51.6 1.0 O13 C:CN1400 2.1 42.6 1.0 O23 C:CN1400 2.1 61.4 1.0 O3A C:CN1400 2.1 46.5 1.0 O3U C:CN1400 2.1 50.8 1.0 O3B C:CN1400 2.1 49.3 1.0 O1U C:CN1400 2.8 48.8 1.0 FE1 C:CN1400 3.0 56.4 1.0 CZ C:TYR196 3.1 50.2 1.0 FE2 C:CN1400 3.2 54.4 1.0 CE2 C:TYR196 3.4 50.3 1.0 O12 C:CN1400 3.6 30.8 1.0 O2B C:CN1400 3.6 35.4 1.0 CE1 C:TYR196 4.4 47.8 1.0 O1A C:CN1400 4.5 38.3 1.0 O2A C:CN1400 4.6 38.0 1.0 CD2 C:TYR196 4.7 52.0 1.0 O C:HOH576 4.8 37.6 1.0 O1B C:CN1400 4.9 52.3 1.0

Iron binding site 10 out of 27 in the Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Tri-Nuclear Oxo-Iron Clusters in the Ferric Binding Protein From N. Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe400 b:65.9 occ:1.00 FE1 D:CNB400 0.0 65.9 1.0 O1B D:CNB400 2.1 50.2 1.0 OH D:TYR195 2.1 76.9 1.0 O13 D:CNB400 2.1 69.3 1.0 O1A D:CNB400 2.1 59.0 1.0 OH D:TYR196 2.1 64.2 1.0 O12 D:CNB400 2.1 60.6 1.0 CZ D:TYR196 3.0 63.8 1.0 CE1 D:TYR196 3.1 62.5 1.0 FE3 D:CNB400 3.1 64.3 1.0 O3B D:CNB400 3.2 47.8 1.0 CZ D:TYR195 3.4 75.3 1.0 FE2 D:CNB400 3.5 73.1 1.0 O D:HOH622 3.8 43.2 1.0 CE1 D:TYR195 3.9 74.2 1.0 O23 D:CNB400 4.2 43.1 1.0 ND2 D:ASN193 4.2 33.0 1.0 CE2 D:TYR196 4.3 62.8 1.0 ND2 D:ASN175 4.4 48.2 1.0 CD1 D:TYR196 4.4 59.4 1.0 CE2 D:TYR195 4.5 74.3 1.0 O3U D:CNB400 4.6 59.6 1.0 O2A D:CNB400 4.6 51.9 1.0 O2U D:CNB400 4.7 31.2 1.0 O3A D:CNB400 5.0 48.4 1.0

H.Zhu, D.Alexeev, D.J.Hunter, D.J.Campopiano, P.J.Sadler. Oxo-Iron Clusters in A Bacterial Iron-Trafficking Protein: New Roles For A Conserved Motif. Biochem.J. V. 376 35 2003.
ISSN: ISSN 0264-6021
PubMed: 13129433
DOI: 10.1042/BJ20031283