Iron in PDB 6qyc: Crystal Structure of Mtrc From Shewanella Baltica OS185

The structure of Crystal Structure of Mtrc From Shewanella Baltica OS185, PDB code: 6qyc was solved by T.A.Clarke, M.J.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.20 / 2.29
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.520, 291.500, 87.200, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.8

The structure of Crystal Structure of Mtrc From Shewanella Baltica OS185 also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

Pages:

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

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Mtrc From Shewanella Baltica OS185 (pdb code 6qyc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the Crystal Structure of Mtrc From Shewanella Baltica OS185, PDB code: 6qyc:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:45.6 occ:1.00 FE A:HEC801 0.0 45.6 1.0 NC A:HEC801 2.0 43.7 1.0 NA A:HEC801 2.1 41.0 1.0 ND A:HEC801 2.1 46.1 1.0 NB A:HEC801 2.1 45.2 1.0 NE2 A:HIS243 2.3 35.4 1.0 NE2 A:HIS202 2.3 40.2 1.0 C4C A:HEC801 3.0 45.4 1.0 C1C A:HEC801 3.0 44.9 1.0 C1A A:HEC801 3.1 49.5 1.0 C1D A:HEC801 3.1 42.3 1.0 C4B A:HEC801 3.1 41.1 1.0 C4A A:HEC801 3.1 46.0 1.0 C4D A:HEC801 3.1 45.3 1.0 C1B A:HEC801 3.1 42.6 1.0 CE1 A:HIS202 3.2 43.4 1.0 CE1 A:HIS243 3.3 41.1 1.0 CD2 A:HIS243 3.3 39.7 1.0 CD2 A:HIS202 3.3 42.3 1.0 CHD A:HEC801 3.4 43.0 1.0 CHA A:HEC801 3.4 48.2 1.0 CHC A:HEC801 3.4 43.6 1.0 CHB A:HEC801 3.5 40.3 1.0 C2C A:HEC801 4.3 40.9 1.0 C3C A:HEC801 4.3 37.8 1.0 C2A A:HEC801 4.3 47.0 1.0 C3A A:HEC801 4.3 46.9 1.0 C3B A:HEC801 4.3 41.6 1.0 C2D A:HEC801 4.3 44.1 1.0 C2B A:HEC801 4.3 42.4 1.0 C3D A:HEC801 4.3 48.7 1.0 ND1 A:HIS243 4.4 47.5 1.0 ND1 A:HIS202 4.4 45.4 1.0 CG A:HIS243 4.4 42.8 1.0 CG A:HIS202 4.5 46.3 1.0

Iron binding site 2 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:50.8 occ:1.00 FE A:HEC802 0.0 50.8 1.0 NB A:HEC802 2.0 42.9 1.0 NC A:HEC802 2.0 49.1 1.0 NA A:HEC802 2.1 46.7 1.0 ND A:HEC802 2.1 42.2 1.0 NE2 A:HIS210 2.4 48.4 1.0 NE2 A:HIS224 2.4 40.2 1.0 C4B A:HEC802 3.0 45.2 1.0 C1C A:HEC802 3.0 47.6 1.0 C1B A:HEC802 3.0 43.0 1.0 C4C A:HEC802 3.1 42.9 1.0 C4A A:HEC802 3.1 46.0 1.0 C1A A:HEC802 3.1 46.7 1.0 C1D A:HEC802 3.1 41.5 1.0 C4D A:HEC802 3.1 48.6 1.0 CD2 A:HIS224 3.1 38.4 1.0 CD2 A:HIS210 3.3 42.8 1.0 CE1 A:HIS210 3.3 44.8 1.0 CHC A:HEC802 3.4 45.5 1.0 CHB A:HEC802 3.4 41.9 1.0 CHA A:HEC802 3.4 46.1 1.0 CHD A:HEC802 3.4 42.7 1.0 CE1 A:HIS224 3.5 48.2 1.0 C3B A:HEC802 4.2 42.1 1.0 C2B A:HEC802 4.2 47.3 1.0 C2C A:HEC802 4.3 44.8 1.0 C3C A:HEC802 4.3 43.1 1.0 C3A A:HEC802 4.3 49.2 1.0 C2A A:HEC802 4.3 46.4 1.0 C2D A:HEC802 4.3 46.1 1.0 C3D A:HEC802 4.3 48.3 1.0 CG A:HIS224 4.4 44.6 1.0 ND1 A:HIS210 4.4 51.2 1.0 CG A:HIS210 4.4 52.4 1.0 ND1 A:HIS224 4.5 43.3 1.0

Iron binding site 3 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:44.0 occ:1.00 FE A:HEC803 0.0 44.0 1.0 NB A:HEC803 2.0 42.6 1.0 NC A:HEC803 2.1 43.3 1.0 NA A:HEC803 2.1 42.6 1.0 ND A:HEC803 2.1 42.5 1.0 NE2 A:HIS258 2.4 37.0 1.0 NE2 A:HIS240 2.4 38.7 1.0 C1B A:HEC803 3.1 42.5 1.0 C4B A:HEC803 3.1 40.1 1.0 C4C A:HEC803 3.1 40.4 1.0 C1C A:HEC803 3.1 41.3 1.0 C4A A:HEC803 3.1 39.9 1.0 C1D A:HEC803 3.1 42.2 1.0 C1A A:HEC803 3.1 42.5 1.0 C4D A:HEC803 3.1 42.5 1.0 CD2 A:HIS258 3.1 40.7 1.0 CD2 A:HIS240 3.2 38.0 1.0 CHB A:HEC803 3.4 42.5 1.0 CHD A:HEC803 3.4 39.0 1.0 CHC A:HEC803 3.4 39.2 1.0 CE1 A:HIS240 3.4 43.2 1.0 CHA A:HEC803 3.5 41.7 1.0 CE1 A:HIS258 3.5 44.0 1.0 C3B A:HEC803 4.3 44.0 1.0 C2B A:HEC803 4.3 44.8 1.0 C3C A:HEC803 4.3 41.9 1.0 C2C A:HEC803 4.3 42.6 1.0 C3A A:HEC803 4.3 41.7 1.0 C2A A:HEC803 4.3 41.1 1.0 C2D A:HEC803 4.3 44.1 1.0 CG A:HIS258 4.4 41.7 1.0 C3D A:HEC803 4.4 43.2 1.0 CG A:HIS240 4.4 40.6 1.0 ND1 A:HIS258 4.5 43.3 1.0 ND1 A:HIS240 4.5 42.8 1.0 O A:HOH946 4.9 40.2 1.0

Iron binding site 4 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:48.1 occ:1.00 FE A:HEC804 0.0 48.1 1.0 NA A:HEC804 2.0 53.5 1.0 ND A:HEC804 2.1 49.2 1.0 NB A:HEC804 2.1 48.3 1.0 NC A:HEC804 2.1 46.5 1.0 NE2 A:HIS316 2.3 42.4 1.0 NE2 A:HIS283 2.4 42.7 1.0 C1A A:HEC804 3.0 51.7 1.0 C4D A:HEC804 3.1 51.9 1.0 C4A A:HEC804 3.1 49.0 1.0 C1B A:HEC804 3.1 45.1 1.0 C4B A:HEC804 3.1 44.6 1.0 C1D A:HEC804 3.1 43.0 1.0 C1C A:HEC804 3.1 45.4 1.0 C4C A:HEC804 3.1 44.9 1.0 CD2 A:HIS316 3.2 46.7 1.0 CD2 A:HIS283 3.3 46.3 1.0 CHA A:HEC804 3.4 52.1 1.0 CE1 A:HIS316 3.4 44.1 1.0 CE1 A:HIS283 3.4 50.7 1.0 CHB A:HEC804 3.4 47.6 1.0 CHC A:HEC804 3.5 46.6 1.0 CHD A:HEC804 3.5 42.2 1.0 C2A A:HEC804 4.3 55.0 1.0 C3A A:HEC804 4.3 52.8 1.0 C2B A:HEC804 4.3 45.6 1.0 C3B A:HEC804 4.3 45.8 1.0 C3D A:HEC804 4.3 46.6 1.0 C2D A:HEC804 4.3 53.3 1.0 C2C A:HEC804 4.3 48.9 1.0 C3C A:HEC804 4.4 48.3 1.0 CG A:HIS316 4.4 45.5 1.0 CG A:HIS283 4.5 46.7 1.0 ND1 A:HIS316 4.5 44.2 1.0 ND1 A:HIS283 4.5 50.4 1.0 CD1 A:LEU315 4.8 53.5 1.0

Iron binding site 5 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe805 b:51.1 occ:1.00 FE A:HEC805 0.0 51.1 1.0 NC A:HEC805 2.1 52.7 1.0 NA A:HEC805 2.1 52.2 1.0 NB A:HEC805 2.1 50.5 1.0 ND A:HEC805 2.1 51.3 1.0 NE2 A:HIS307 2.4 46.6 1.0 NE2 A:HIS294 2.4 45.0 1.0 C4C A:HEC805 3.0 52.4 1.0 CD2 A:HIS307 3.1 46.2 1.0 C1B A:HEC805 3.1 49.9 1.0 C1D A:HEC805 3.1 52.4 1.0 C4A A:HEC805 3.1 47.0 1.0 C1C A:HEC805 3.1 47.2 1.0 C1A A:HEC805 3.1 49.1 1.0 C4B A:HEC805 3.1 47.8 1.0 C4D A:HEC805 3.1 55.1 1.0 CD2 A:HIS294 3.3 44.2 1.0 CHD A:HEC805 3.4 54.2 1.0 CHB A:HEC805 3.4 43.4 1.0 CHA A:HEC805 3.4 52.0 1.0 CE1 A:HIS294 3.4 47.6 1.0 CHC A:HEC805 3.5 45.6 1.0 CE1 A:HIS307 3.5 52.2 1.0 C2C A:HEC805 4.3 49.7 1.0 C3C A:HEC805 4.3 53.5 1.0 C2B A:HEC805 4.3 49.9 1.0 C3A A:HEC805 4.3 46.2 1.0 C3B A:HEC805 4.3 46.1 1.0 C2A A:HEC805 4.3 50.0 1.0 C2D A:HEC805 4.3 57.1 1.0 C3D A:HEC805 4.3 51.6 1.0 CG A:HIS307 4.3 47.5 1.0 CG A:HIS294 4.5 52.4 1.0 ND1 A:HIS294 4.5 54.6 1.0 ND1 A:HIS307 4.5 52.7 1.0 CE1 A:PHE288 4.8 47.9 1.0

Iron binding site 6 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe806 b:45.3 occ:1.00 FE A:HEC806 0.0 45.3 1.0 NB A:HEC806 2.0 39.7 1.0 NC A:HEC806 2.0 43.4 1.0 NA A:HEC806 2.1 40.5 1.0 ND A:HEC806 2.1 39.4 1.0 NE2 A:HIS556 2.4 39.6 1.0 NE2 A:HIS492 2.4 37.7 1.0 C4B A:HEC806 3.0 42.9 1.0 C1C A:HEC806 3.0 39.8 1.0 C1A A:HEC806 3.1 41.0 1.0 CD2 A:HIS492 3.1 36.7 1.0 C4D A:HEC806 3.1 40.3 1.0 C1B A:HEC806 3.1 38.0 1.0 C4C A:HEC806 3.1 38.3 1.0 C4A A:HEC806 3.1 37.6 1.0 C1D A:HEC806 3.1 40.7 1.0 CD2 A:HIS556 3.3 41.6 1.0 CE1 A:HIS556 3.3 40.2 1.0 CHA A:HEC806 3.4 39.4 1.0 CHC A:HEC806 3.4 44.3 1.0 CHB A:HEC806 3.5 39.1 1.0 CHD A:HEC806 3.5 39.4 1.0 CE1 A:HIS492 3.6 41.5 1.0 C3B A:HEC806 4.3 37.9 1.0 C2C A:HEC806 4.3 41.5 1.0 C2B A:HEC806 4.3 40.5 1.0 C2A A:HEC806 4.3 41.6 1.0 C3C A:HEC806 4.3 39.1 1.0 C3A A:HEC806 4.3 40.2 1.0 C3D A:HEC806 4.3 41.1 1.0 CG A:HIS492 4.3 40.4 1.0 C2D A:HEC806 4.3 44.8 1.0 ND1 A:HIS556 4.4 41.3 1.0 CG A:HIS556 4.5 45.3 1.0 ND1 A:HIS492 4.6 46.2 1.0

Iron binding site 7 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe807 b:45.4 occ:1.00 FE A:HEC807 0.0 45.4 1.0 NC A:HEC807 2.0 38.8 1.0 NB A:HEC807 2.1 39.6 1.0 NA A:HEC807 2.1 40.3 1.0 ND A:HEC807 2.1 39.4 1.0 NE2 A:HIS499 2.3 40.8 1.0 NE2 A:HIS533 2.4 36.6 1.0 C1C A:HEC807 3.0 40.1 1.0 C4C A:HEC807 3.0 41.5 1.0 CD2 A:HIS499 3.1 41.1 1.0 C4B A:HEC807 3.1 35.4 1.0 C1D A:HEC807 3.1 40.3 1.0 C4D A:HEC807 3.1 41.4 1.0 C1A A:HEC807 3.1 40.0 1.0 C1B A:HEC807 3.1 37.3 1.0 C4A A:HEC807 3.1 39.0 1.0 CE1 A:HIS533 3.3 37.4 1.0 CD2 A:HIS533 3.3 42.0 1.0 CHC A:HEC807 3.4 38.5 1.0 CHD A:HEC807 3.4 39.6 1.0 CE1 A:HIS499 3.4 45.9 1.0 CHA A:HEC807 3.5 38.4 1.0 CHB A:HEC807 3.5 38.5 1.0 C2C A:HEC807 4.2 35.5 1.0 C3C A:HEC807 4.2 40.4 1.0 CG A:HIS499 4.3 46.5 1.0 C3B A:HEC807 4.3 37.5 1.0 C2B A:HEC807 4.3 37.4 1.0 C2D A:HEC807 4.3 43.2 1.0 C2A A:HEC807 4.3 41.2 1.0 C3A A:HEC807 4.3 36.6 1.0 C3D A:HEC807 4.3 41.0 1.0 ND1 A:HIS499 4.4 46.4 1.0 ND1 A:HIS533 4.4 46.0 1.0 CG A:HIS533 4.5 41.5 1.0

Iron binding site 8 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe808 b:46.1 occ:1.00 FE A:HEC808 0.0 46.1 1.0 NC A:HEC808 2.0 40.8 1.0 NB A:HEC808 2.1 39.5 1.0 NA A:HEC808 2.1 44.2 1.0 ND A:HEC808 2.1 41.1 1.0 NE2 A:HIS553 2.3 36.6 1.0 NE2 A:HIS569 2.4 40.8 1.0 C4C A:HEC808 3.1 37.5 1.0 C1C A:HEC808 3.1 34.4 1.0 C1B A:HEC808 3.1 38.3 1.0 C4A A:HEC808 3.1 44.8 1.0 C1D A:HEC808 3.1 41.1 1.0 C4B A:HEC808 3.1 38.4 1.0 CD2 A:HIS553 3.1 37.2 1.0 C1A A:HEC808 3.1 44.9 1.0 C4D A:HEC808 3.1 38.1 1.0 CD2 A:HIS569 3.2 39.4 1.0 CE1 A:HIS553 3.4 41.1 1.0 CHD A:HEC808 3.4 38.6 1.0 CE1 A:HIS569 3.4 43.6 1.0 CHB A:HEC808 3.4 38.8 1.0 CHC A:HEC808 3.4 38.4 1.0 CHA A:HEC808 3.5 44.8 1.0 C3C A:HEC808 4.3 35.4 1.0 C2C A:HEC808 4.3 39.4 1.0 C3A A:HEC808 4.3 42.0 1.0 C2B A:HEC808 4.3 41.6 1.0 C2A A:HEC808 4.3 40.4 1.0 C3B A:HEC808 4.3 39.8 1.0 CG A:HIS553 4.3 40.4 1.0 C2D A:HEC808 4.3 41.8 1.0 C3D A:HEC808 4.3 39.4 1.0 CG A:HIS569 4.4 42.5 1.0 ND1 A:HIS553 4.4 43.6 1.0 ND1 A:HIS569 4.5 44.2 1.0 CE1 A:PHE572 4.8 38.2 1.0

Iron binding site 9 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe809 b:51.8 occ:1.00 FE A:HEC809 0.0 51.8 1.0 NB A:HEC809 2.0 41.3 1.0 NC A:HEC809 2.0 43.2 1.0 NA A:HEC809 2.1 49.0 1.0 ND A:HEC809 2.1 50.0 1.0 NE2 A:HIS602 2.4 43.2 1.0 NE2 A:HIS645 2.4 43.3 1.0 C1C A:HEC809 3.0 41.5 1.0 C1B A:HEC809 3.1 44.5 1.0 C4B A:HEC809 3.1 42.6 1.0 C4C A:HEC809 3.1 45.9 1.0 C4A A:HEC809 3.1 42.6 1.0 C1A A:HEC809 3.1 48.1 1.0 C1D A:HEC809 3.1 48.0 1.0 C4D A:HEC809 3.1 47.9 1.0 CD2 A:HIS602 3.2 43.6 1.0 CD2 A:HIS645 3.2 44.5 1.0 CE1 A:HIS602 3.4 47.6 1.0 CHC A:HEC809 3.4 41.4 1.0 CHB A:HEC809 3.4 43.3 1.0 CHD A:HEC809 3.4 46.5 1.0 CHA A:HEC809 3.5 43.1 1.0 CE1 A:HIS645 3.5 45.2 1.0 C2B A:HEC809 4.3 40.4 1.0 C2C A:HEC809 4.3 40.5 1.0 C3B A:HEC809 4.3 39.1 1.0 C3C A:HEC809 4.3 44.1 1.0 C3A A:HEC809 4.3 42.5 1.0 C2A A:HEC809 4.3 42.5 1.0 C2D A:HEC809 4.4 50.6 1.0 C3D A:HEC809 4.4 48.3 1.0 CG A:HIS602 4.4 46.0 1.0 ND1 A:HIS602 4.5 50.7 1.0 CG A:HIS645 4.5 48.0 1.0 ND1 A:HIS645 4.6 50.1 1.0 CBB A:HEC808 5.0 43.7 1.0

Iron binding site 10 out of 30 in the Crystal Structure of Mtrc From Shewanella Baltica OS185


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 Mtrc From Shewanella Baltica OS185 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe810 b:50.2 occ:1.00 FE A:HEC810 0.0 50.2 1.0 NB A:HEC810 2.0 45.8 1.0 NC A:HEC810 2.0 49.7 1.0 NA A:HEC810 2.1 46.2 1.0 ND A:HEC810 2.1 45.0 1.0 NE2 A:HIS638 2.4 46.2 1.0 NE2 A:HIS609 2.4 42.6 1.0 C1B A:HEC810 3.0 42.9 1.0 C1C A:HEC810 3.1 46.8 1.0 C4C A:HEC810 3.1 45.5 1.0 C4B A:HEC810 3.1 44.3 1.0 C4A A:HEC810 3.1 43.8 1.0 C1D A:HEC810 3.1 41.5 1.0 C1A A:HEC810 3.1 46.1 1.0 C4D A:HEC810 3.1 44.4 1.0 CD2 A:HIS638 3.2 43.1 1.0 CD2 A:HIS609 3.2 46.6 1.0 CE1 A:HIS609 3.4 44.2 1.0 CE1 A:HIS638 3.4 46.5 1.0 CHB A:HEC810 3.4 44.7 1.0 CHC A:HEC810 3.4 46.1 1.0 CHD A:HEC810 3.4 40.8 1.0 CHA A:HEC810 3.5 47.0 1.0 C2B A:HEC810 4.3 44.8 1.0 C2C A:HEC810 4.3 42.0 1.0 C3B A:HEC810 4.3 43.1 1.0 C3C A:HEC810 4.3 46.0 1.0 C3A A:HEC810 4.3 44.4 1.0 C2A A:HEC810 4.3 44.1 1.0 C2D A:HEC810 4.3 45.6 1.0 C3D A:HEC810 4.3 47.0 1.0 CG A:HIS609 4.4 46.9 1.0 ND1 A:HIS609 4.4 49.4 1.0 CG A:HIS638 4.4 44.8 1.0 ND1 A:HIS638 4.5 48.1 1.0 CG2 A:ILE607 4.7 42.1 1.0

M.J.Edwards, G.F.White, J.N.Butt, D.J.Richardson, T.A.Clarke. The Crystal Structure of A Biological Insulated Transmembrane Molecular Wire. Cell 2020.
ISSN: ISSN 1097-4172
PubMed: 32289252
DOI: 10.1016/J.CELL.2020.03.032