Iron in PDB 3qzo: Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal

The structure of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal, PDB code: 3qzo was solved by J.C.Grigg, C.X.Mao, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.041, 58.592, 97.834, 90.00, 92.98, 90.00
R / Rfree (%)	19.4 / 24.4

The binding sites of Iron atom in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal (pdb code 3qzo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal, PDB code: 3qzo:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:29.1 occ:0.50 FE A:HEM200 0.0 29.1 0.5 FE A:HEM200 0.5 27.5 0.5 NC A:HEM200 1.9 28.9 0.5 NC A:HEM200 2.0 27.5 0.5 NB A:HEM200 2.1 27.8 0.5 NB A:HEM200 2.1 28.7 0.5 NA A:HEM200 2.1 28.3 0.5 ND A:HEM200 2.1 27.1 0.5 ND A:HEM200 2.2 28.4 0.5 NA A:HEM200 2.3 27.6 0.5 OH A:TYR166 2.5 26.2 1.0 ND1 A:HIS83 2.6 31.8 1.0 C1C A:HEM200 2.9 29.0 0.5 C4C A:HEM200 2.9 28.9 0.5 C4B A:HEM200 3.0 28.2 0.5 C4C A:HEM200 3.0 27.4 0.5 C1C A:HEM200 3.1 27.6 0.5 C1D A:HEM200 3.1 27.1 0.5 C4A A:HEM200 3.1 28.8 0.5 C1B A:HEM200 3.1 28.8 0.5 C1D A:HEM200 3.1 29.2 0.5 C4B A:HEM200 3.1 28.7 0.5 C1A A:HEM200 3.1 28.9 0.5 C1B A:HEM200 3.1 27.8 0.5 C4D A:HEM200 3.1 26.9 0.5 C4A A:HEM200 3.2 27.4 0.5 C4D A:HEM200 3.3 29.3 0.5 C1A A:HEM200 3.3 27.3 0.5 CE1 A:HIS83 3.3 32.0 1.0 CHC A:HEM200 3.3 28.3 0.5 CHD A:HEM200 3.3 28.7 0.5 CHD A:HEM200 3.4 26.1 0.5 CHB A:HEM200 3.4 28.1 0.5 CHC A:HEM200 3.5 27.5 0.5 CHA A:HEM200 3.5 27.4 0.5 CHB A:HEM200 3.5 26.9 0.5 CHA A:HEM200 3.7 27.5 0.5 CZ A:TYR166 3.7 25.5 1.0 CG A:HIS83 3.8 29.4 1.0 OH A:TYR170 4.1 28.4 1.0 C3C A:HEM200 4.1 30.1 0.5 C2C A:HEM200 4.1 29.8 0.5 CE2 A:TYR166 4.2 27.4 1.0 CB A:HIS83 4.2 27.6 1.0 C3B A:HEM200 4.2 28.1 0.5 C3C A:HEM200 4.2 27.4 0.5 C2C A:HEM200 4.3 27.0 0.5 C2B A:HEM200 4.3 28.0 0.5 C3A A:HEM200 4.3 29.1 0.5 C2A A:HEM200 4.3 29.8 0.5 C2B A:HEM200 4.3 29.5 0.5 C3B A:HEM200 4.3 29.2 0.5 C2D A:HEM200 4.3 26.6 0.5 C2D A:HEM200 4.4 29.7 0.5 C3D A:HEM200 4.4 26.3 0.5 C3A A:HEM200 4.4 27.2 0.5 CE2 A:TYR170 4.4 28.6 1.0 C2A A:HEM200 4.4 27.2 0.5 C3D A:HEM200 4.5 30.4 0.5 CZ A:TYR170 4.5 28.7 1.0 NE2 A:HIS83 4.5 31.6 1.0 CD2 A:HIS83 4.8 31.7 1.0 CE1 A:TYR166 4.8 23.9 1.0

Iron binding site 2 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:27.5 occ:0.50 FE A:HEM200 0.0 27.5 0.5 FE A:HEM200 0.5 29.1 0.5 ND A:HEM200 2.0 27.1 0.5 NA A:HEM200 2.0 27.6 0.5 NB A:HEM200 2.1 27.8 0.5 NC A:HEM200 2.1 28.9 0.5 ND A:HEM200 2.1 28.4 0.5 NC A:HEM200 2.1 27.5 0.5 NA A:HEM200 2.1 28.3 0.5 ND1 A:HIS83 2.1 31.8 1.0 NB A:HEM200 2.3 28.7 0.5 C1D A:HEM200 2.9 27.1 0.5 CE1 A:HIS83 3.0 32.0 1.0 C4A A:HEM200 3.0 27.4 0.5 OH A:TYR166 3.0 26.2 1.0 C4D A:HEM200 3.0 26.9 0.5 C4C A:HEM200 3.0 27.4 0.5 C1A A:HEM200 3.1 28.9 0.5 C1B A:HEM200 3.1 27.8 0.5 C1A A:HEM200 3.1 27.3 0.5 C1D A:HEM200 3.1 29.2 0.5 C4C A:HEM200 3.1 28.9 0.5 C4B A:HEM200 3.1 28.2 0.5 C4A A:HEM200 3.1 28.8 0.5 C4D A:HEM200 3.1 29.3 0.5 C1C A:HEM200 3.1 29.0 0.5 C1C A:HEM200 3.2 27.6 0.5 C1B A:HEM200 3.3 28.8 0.5 CG A:HIS83 3.3 29.4 1.0 CHD A:HEM200 3.3 26.1 0.5 C4B A:HEM200 3.3 28.7 0.5 CHB A:HEM200 3.4 26.9 0.5 CHA A:HEM200 3.4 27.4 0.5 CHD A:HEM200 3.4 28.7 0.5 CHA A:HEM200 3.5 27.5 0.5 CHC A:HEM200 3.5 28.3 0.5 CHB A:HEM200 3.5 28.1 0.5 CHC A:HEM200 3.7 27.5 0.5 CB A:HIS83 3.7 27.6 1.0 C2D A:HEM200 4.2 26.6 0.5 NE2 A:HIS83 4.2 31.6 1.0 CZ A:TYR166 4.2 25.5 1.0 C3D A:HEM200 4.2 26.3 0.5 C3A A:HEM200 4.2 27.2 0.5 C2A A:HEM200 4.2 29.8 0.5 C2A A:HEM200 4.2 27.2 0.5 C3A A:HEM200 4.3 29.1 0.5 C3C A:HEM200 4.3 27.4 0.5 C2B A:HEM200 4.3 28.0 0.5 C3B A:HEM200 4.3 28.1 0.5 CD2 A:HIS83 4.3 31.7 1.0 C3C A:HEM200 4.3 30.1 0.5 C2D A:HEM200 4.3 29.7 0.5 C2C A:HEM200 4.4 29.8 0.5 C3D A:HEM200 4.4 30.4 0.5 C2C A:HEM200 4.4 27.0 0.5 OH A:TYR170 4.4 28.4 1.0 C2B A:HEM200 4.5 29.5 0.5 C3B A:HEM200 4.5 29.2 0.5 CE2 A:TYR166 4.6 27.4 1.0 CE2 A:TYR170 4.7 28.6 1.0 CZ A:TYR170 4.7 28.7 1.0

Iron binding site 3 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:29.0 occ:0.50 FE B:HEM200 0.0 29.0 0.5 FE B:HEM200 1.1 40.4 0.5 NC B:HEM200 2.0 28.8 0.5 ND B:HEM200 2.0 29.8 0.5 NA B:HEM200 2.1 39.8 0.5 NA B:HEM200 2.1 29.8 0.5 NB B:HEM200 2.1 28.9 0.5 ND1 B:HIS83 2.2 40.5 1.0 ND B:HEM200 2.3 39.3 0.5 NB B:HEM200 2.4 39.2 0.5 NC B:HEM200 2.5 39.0 0.5 C4C B:HEM200 3.0 29.2 0.5 C1A B:HEM200 3.0 40.3 0.5 C4A B:HEM200 3.0 39.6 0.5 C1D B:HEM200 3.0 30.4 0.5 C4A B:HEM200 3.1 29.7 0.5 C1C B:HEM200 3.1 28.3 0.5 C4D B:HEM200 3.1 40.4 0.5 C4D B:HEM200 3.1 29.7 0.5 C1B B:HEM200 3.1 28.8 0.5 C1A B:HEM200 3.1 30.1 0.5 CE1 B:HIS83 3.1 39.7 1.0 C4B B:HEM200 3.2 29.1 0.5 C1B B:HEM200 3.2 39.2 0.5 C1D B:HEM200 3.2 39.5 0.5 CG B:HIS83 3.2 39.8 1.0 OH B:TYR166 3.3 30.0 1.0 CHD B:HEM200 3.3 29.8 0.5 C4C B:HEM200 3.3 38.8 0.5 C4B B:HEM200 3.4 39.0 0.5 CHA B:HEM200 3.4 40.1 0.5 CHB B:HEM200 3.4 29.0 0.5 CHB B:HEM200 3.4 39.0 0.5 C1C B:HEM200 3.5 38.7 0.5 CHA B:HEM200 3.5 30.2 0.5 CHC B:HEM200 3.5 28.5 0.5 CB B:HIS83 3.6 39.8 1.0 CHD B:HEM200 3.6 39.0 0.5 CHC B:HEM200 3.8 38.4 0.5 C3A B:HEM200 4.1 40.3 0.5 C2A B:HEM200 4.1 40.5 0.5 C3C B:HEM200 4.2 29.4 0.5 C3D B:HEM200 4.2 40.9 0.5 C2D B:HEM200 4.2 30.7 0.5 C2C B:HEM200 4.3 29.1 0.5 C3A B:HEM200 4.3 30.5 0.5 C3D B:HEM200 4.3 30.4 0.5 C2D B:HEM200 4.3 40.4 0.5 NE2 B:HIS83 4.3 40.6 1.0 C2A B:HEM200 4.3 30.8 0.5 C2B B:HEM200 4.3 29.4 0.5 CD2 B:HIS83 4.4 40.5 1.0 C3B B:HEM200 4.4 29.1 0.5 C2B B:HEM200 4.4 39.6 0.5 O B:HOH288 4.4 46.5 1.0 CZ B:TYR166 4.5 31.7 1.0 C3B B:HEM200 4.5 39.4 0.5 OH B:TYR170 4.5 43.1 1.0 C3C B:HEM200 4.5 38.9 0.5 C2C B:HEM200 4.6 38.6 0.5 CE2 B:TYR170 4.8 40.9 1.0 CZ B:TYR170 4.9 41.9 1.0 CE2 B:TYR166 4.9 31.5 1.0 CA B:HIS83 4.9 40.0 1.0

Iron binding site 4 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:40.4 occ:0.50 FE B:HEM200 0.0 40.4 0.5 FE B:HEM200 1.1 29.0 0.5 NC B:HEM200 2.0 39.0 0.5 NB B:HEM200 2.0 28.9 0.5 NB B:HEM200 2.1 39.2 0.5 NA B:HEM200 2.1 39.8 0.5 ND B:HEM200 2.1 39.3 0.5 NC B:HEM200 2.1 28.8 0.5 OH B:TYR166 2.3 30.0 1.0 NA B:HEM200 2.4 29.8 0.5 ND B:HEM200 2.5 29.8 0.5 C4B B:HEM200 2.9 29.1 0.5 C1C B:HEM200 2.9 28.3 0.5 C1B B:HEM200 3.0 28.8 0.5 C1C B:HEM200 3.0 38.7 0.5 C4C B:HEM200 3.1 38.8 0.5 C4B B:HEM200 3.1 39.0 0.5 C1B B:HEM200 3.1 39.2 0.5 C4A B:HEM200 3.1 39.6 0.5 C1A B:HEM200 3.1 40.3 0.5 C1D B:HEM200 3.1 39.5 0.5 C4D B:HEM200 3.1 40.4 0.5 C4C B:HEM200 3.2 29.2 0.5 ND1 B:HIS83 3.2 40.5 1.0 C4A B:HEM200 3.2 29.7 0.5 CHC B:HEM200 3.3 28.5 0.5 C1D B:HEM200 3.4 30.4 0.5 C1A B:HEM200 3.4 30.1 0.5 CHC B:HEM200 3.4 38.4 0.5 CHD B:HEM200 3.4 39.0 0.5 CZ B:TYR166 3.4 31.7 1.0 C4D B:HEM200 3.4 29.7 0.5 CHA B:HEM200 3.4 40.1 0.5 CHB B:HEM200 3.5 39.0 0.5 CHB B:HEM200 3.5 29.0 0.5 CHD B:HEM200 3.7 29.8 0.5 OH B:TYR170 3.7 43.1 1.0 CHA B:HEM200 3.8 30.2 0.5 CE1 B:HIS83 3.9 39.7 1.0 CE2 B:TYR166 4.0 31.5 1.0 C3B B:HEM200 4.1 29.1 0.5 CE2 B:TYR170 4.1 40.9 1.0 C2C B:HEM200 4.1 29.1 0.5 C2B B:HEM200 4.2 29.4 0.5 CZ B:TYR170 4.2 41.9 1.0 C3C B:HEM200 4.2 29.4 0.5 C3C B:HEM200 4.3 38.9 0.5 C2C B:HEM200 4.3 38.6 0.5 C3B B:HEM200 4.3 39.4 0.5 CG B:HIS83 4.3 39.8 1.0 C2B B:HEM200 4.3 39.6 0.5 C3A B:HEM200 4.3 40.3 0.5 C2A B:HEM200 4.3 40.5 0.5 C3A B:HEM200 4.3 30.5 0.5 C2D B:HEM200 4.3 40.4 0.5 C3D B:HEM200 4.3 40.9 0.5 C2A B:HEM200 4.4 30.8 0.5 CE1 B:TYR166 4.5 30.9 1.0 C2D B:HEM200 4.5 30.7 0.5 C3D B:HEM200 4.6 30.4 0.5 CB B:HIS83 4.6 39.8 1.0

Iron binding site 5 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:20.1 occ:0.50 FE C:HEM200 0.0 20.1 0.5 FE C:HEM200 0.5 16.9 0.5 NA C:HEM200 1.7 16.1 0.5 ND C:HEM200 2.0 20.0 0.5 NC C:HEM200 2.1 18.4 0.5 NA C:HEM200 2.1 20.6 0.5 ND C:HEM200 2.1 18.5 0.5 NB C:HEM200 2.1 18.9 0.5 NB C:HEM200 2.3 16.5 0.5 NC C:HEM200 2.4 17.6 0.5 OH C:TYR166 2.7 27.2 1.0 C4A C:HEM200 2.7 15.6 0.5 C1A C:HEM200 2.7 16.4 0.5 CD2 C:HIS83 2.9 17.8 1.0 C4D C:HEM200 2.9 18.2 0.5 C1D C:HEM200 3.0 19.0 0.5 C4D C:HEM200 3.0 20.7 0.5 C4C C:HEM200 3.1 16.6 0.5 C1B C:HEM200 3.1 16.2 0.5 C4A C:HEM200 3.1 21.3 0.5 C1B C:HEM200 3.1 20.0 0.5 C1A C:HEM200 3.1 21.3 0.5 C1C C:HEM200 3.1 17.9 0.5 C1D C:HEM200 3.1 19.3 0.5 C4B C:HEM200 3.1 19.4 0.5 CHA C:HEM200 3.2 17.4 0.5 CHB C:HEM200 3.2 14.3 0.5 NE2 C:HIS83 3.2 18.5 1.0 C4C C:HEM200 3.3 18.9 0.5 CG C:HIS83 3.3 14.2 1.0 CHD C:HEM200 3.4 17.8 0.5 C4B C:HEM200 3.4 17.4 0.5 CHB C:HEM200 3.4 19.1 0.5 CHA C:HEM200 3.4 20.5 0.5 C1C C:HEM200 3.5 18.5 0.5 CHC C:HEM200 3.5 18.9 0.5 CHD C:HEM200 3.5 18.5 0.5 CZ C:TYR166 3.7 24.2 1.0 CE1 C:HIS83 3.8 16.4 1.0 ND1 C:HIS83 3.8 15.5 1.0 CHC C:HEM200 3.9 18.3 0.5 C3A C:HEM200 3.9 14.0 0.5 C2A C:HEM200 3.9 13.8 0.5 CB C:HIS83 4.0 12.7 1.0 OH C:TYR170 4.2 21.4 1.0 C3D C:HEM200 4.2 17.7 0.5 C2D C:HEM200 4.2 18.9 0.5 C2D C:HEM200 4.2 19.0 0.5 C3D C:HEM200 4.3 19.3 0.5 C3C C:HEM200 4.3 16.6 0.5 C3A C:HEM200 4.3 21.2 0.5 C2A C:HEM200 4.3 20.7 0.5 C2B C:HEM200 4.3 20.3 0.5 C2C C:HEM200 4.3 16.6 0.5 C3B C:HEM200 4.3 20.5 0.5 C2B C:HEM200 4.4 16.6 0.5 CE2 C:TYR166 4.4 24.9 1.0 CE2 C:TYR170 4.4 21.7 1.0 C3B C:HEM200 4.5 17.6 0.5 CZ C:TYR170 4.5 21.6 1.0 CE1 C:TYR166 4.5 23.3 1.0 C3C C:HEM200 4.5 19.8 0.5 C2C C:HEM200 4.6 19.3 0.5

Iron binding site 6 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:16.9 occ:0.50 FE C:HEM200 0.0 16.9 0.5 FE C:HEM200 0.5 20.1 0.5 NB C:HEM200 1.8 18.9 0.5 NC C:HEM200 2.0 17.6 0.5 NC C:HEM200 2.0 18.4 0.5 NA C:HEM200 2.0 16.1 0.5 NB C:HEM200 2.1 16.5 0.5 ND C:HEM200 2.1 18.5 0.5 NA C:HEM200 2.2 20.6 0.5 OH C:TYR166 2.3 27.2 1.0 ND C:HEM200 2.4 20.0 0.5 C4B C:HEM200 2.8 19.4 0.5 C1B C:HEM200 2.8 20.0 0.5 C1C C:HEM200 2.9 17.9 0.5 C4C C:HEM200 3.0 18.9 0.5 C4A C:HEM200 3.0 15.6 0.5 C1D C:HEM200 3.1 19.3 0.5 C4A C:HEM200 3.1 21.3 0.5 C1B C:HEM200 3.1 16.2 0.5 C1C C:HEM200 3.1 18.5 0.5 C1A C:HEM200 3.1 16.4 0.5 C4B C:HEM200 3.1 17.4 0.5 C4C C:HEM200 3.1 16.6 0.5 C4D C:HEM200 3.2 18.2 0.5 CD2 C:HIS83 3.2 17.8 1.0 CHC C:HEM200 3.2 18.9 0.5 CHB C:HEM200 3.3 19.1 0.5 CZ C:TYR166 3.3 24.2 1.0 C1D C:HEM200 3.3 19.0 0.5 C1A C:HEM200 3.3 21.3 0.5 CHD C:HEM200 3.4 18.5 0.5 CHB C:HEM200 3.4 14.3 0.5 NE2 C:HIS83 3.4 18.5 1.0 C4D C:HEM200 3.4 20.7 0.5 CHC C:HEM200 3.5 18.3 0.5 CHA C:HEM200 3.5 17.4 0.5 CHD C:HEM200 3.6 17.8 0.5 CG C:HIS83 3.7 14.2 1.0 CHA C:HEM200 3.8 20.5 0.5 C3B C:HEM200 3.9 20.5 0.5 C2B C:HEM200 3.9 20.3 0.5 CE2 C:TYR166 4.0 24.9 1.0 CE1 C:HIS83 4.0 16.4 1.0 OH C:TYR170 4.1 21.4 1.0 CE1 C:TYR166 4.1 23.3 1.0 ND1 C:HIS83 4.2 15.5 1.0 C2C C:HEM200 4.2 16.6 0.5 C3C C:HEM200 4.2 19.8 0.5 C3A C:HEM200 4.2 14.0 0.5 C2C C:HEM200 4.3 19.3 0.5 C3C C:HEM200 4.3 16.6 0.5 C2A C:HEM200 4.3 13.8 0.5 C2D C:HEM200 4.3 19.0 0.5 C2B C:HEM200 4.3 16.6 0.5 C3B C:HEM200 4.3 17.6 0.5 C3D C:HEM200 4.4 17.7 0.5 C3A C:HEM200 4.4 21.2 0.5 CE2 C:TYR170 4.4 21.7 1.0 CB C:HIS83 4.5 12.7 1.0 C2A C:HEM200 4.5 20.7 0.5 CZ C:TYR170 4.5 21.6 1.0 C2D C:HEM200 4.6 18.9 0.5 C3D C:HEM200 4.6 19.3 0.5

Iron binding site 7 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe200 b:15.7 occ:0.50 FE D:HEM200 0.0 15.7 0.5 FE D:HEM200 0.2 18.9 0.5 ND D:HEM200 2.0 17.6 0.5 NA D:HEM200 2.0 15.7 0.5 NC D:HEM200 2.0 17.4 0.5 NA D:HEM200 2.0 18.1 0.5 NB D:HEM200 2.1 16.0 0.5 ND D:HEM200 2.1 17.9 0.5 NC D:HEM200 2.1 17.4 0.5 NB D:HEM200 2.2 18.3 0.5 OH D:TYR166 2.3 21.6 1.0 C4D D:HEM200 3.0 17.9 0.5 C1D D:HEM200 3.0 17.0 0.5 C4C D:HEM200 3.0 19.0 0.5 C4A D:HEM200 3.0 14.6 0.5 C1A D:HEM200 3.0 17.6 0.5 C1D D:HEM200 3.1 18.4 0.5 C1C D:HEM200 3.1 17.7 0.5 C1A D:HEM200 3.1 15.7 0.5 C4A D:HEM200 3.1 18.4 0.5 C1B D:HEM200 3.1 19.3 0.5 C1B D:HEM200 3.1 15.9 0.5 C4B D:HEM200 3.1 16.0 0.5 C4B D:HEM200 3.1 18.8 0.5 C4D D:HEM200 3.1 16.6 0.5 C4C D:HEM200 3.1 17.3 0.5 CD2 D:HIS83 3.1 17.5 1.0 C1C D:HEM200 3.1 17.4 0.5 CZ D:TYR166 3.2 21.7 1.0 CHA D:HEM200 3.4 17.9 0.5 CHD D:HEM200 3.4 18.3 0.5 CHD D:HEM200 3.4 16.8 0.5 CHB D:HEM200 3.4 15.1 0.5 CHB D:HEM200 3.5 17.6 0.5 CHA D:HEM200 3.5 16.8 0.5 CHC D:HEM200 3.5 17.4 0.5 NE2 D:HIS83 3.5 19.1 1.0 CHC D:HEM200 3.5 18.6 0.5 CG D:HIS83 3.6 14.3 1.0 CE2 D:TYR166 3.9 22.2 1.0 CE1 D:TYR166 4.0 22.7 1.0 CE1 D:HIS83 4.0 14.9 1.0 OH D:TYR170 4.1 20.4 1.0 ND1 D:HIS83 4.1 13.8 1.0 C3B D:HEM200 4.2 19.5 0.5 C2B D:HEM200 4.2 18.7 0.5 C2D D:HEM200 4.2 17.0 0.5 C3D D:HEM200 4.2 16.4 0.5 CB D:HIS83 4.2 13.1 1.0 C3A D:HEM200 4.3 14.6 0.5 C3C D:HEM200 4.3 19.1 0.5 C2A D:HEM200 4.3 18.1 0.5 C2C D:HEM200 4.3 19.4 0.5 CE2 D:TYR170 4.3 19.1 1.0 C2A D:HEM200 4.3 13.6 0.5 C3A D:HEM200 4.3 17.7 0.5 C2D D:HEM200 4.3 17.4 0.5 C3B D:HEM200 4.3 16.5 0.5 C2B D:HEM200 4.3 15.7 0.5 C3D D:HEM200 4.3 17.7 0.5 C3C D:HEM200 4.4 16.8 0.5 C2C D:HEM200 4.4 17.3 0.5 CZ D:TYR170 4.5 19.7 1.0

Iron binding site 8 out of 8 in the Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Staphylococcus Aureus Isda Neat Domain in Complex with Heme, Reduced Crystal within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe200 b:18.9 occ:0.50 FE D:HEM200 0.0 18.9 0.5 FE D:HEM200 0.2 15.7 0.5 NC D:HEM200 2.0 17.4 0.5 NA D:HEM200 2.1 18.1 0.5 ND D:HEM200 2.1 17.6 0.5 NB D:HEM200 2.1 16.0 0.5 NB D:HEM200 2.1 18.3 0.5 NC D:HEM200 2.1 17.4 0.5 NA D:HEM200 2.1 15.7 0.5 ND D:HEM200 2.1 17.9 0.5 OH D:TYR166 2.4 21.6 1.0 CD2 D:HIS83 2.9 17.5 1.0 C4C D:HEM200 3.0 19.0 0.5 C1C D:HEM200 3.0 17.7 0.5 C1B D:HEM200 3.0 19.3 0.5 C4B D:HEM200 3.0 18.8 0.5 C1D D:HEM200 3.0 18.4 0.5 C4B D:HEM200 3.1 16.0 0.5 C1D D:HEM200 3.1 17.0 0.5 C4A D:HEM200 3.1 18.4 0.5 C1A D:HEM200 3.1 17.6 0.5 C4A D:HEM200 3.1 14.6 0.5 C4D D:HEM200 3.1 17.9 0.5 C1C D:HEM200 3.1 17.4 0.5 C1B D:HEM200 3.1 15.9 0.5 C4C D:HEM200 3.1 17.3 0.5 C4D D:HEM200 3.1 16.6 0.5 C1A D:HEM200 3.2 15.7 0.5 NE2 D:HIS83 3.3 19.1 1.0 CHD D:HEM200 3.4 18.3 0.5 CZ D:TYR166 3.4 21.7 1.0 CHB D:HEM200 3.4 17.6 0.5 CHC D:HEM200 3.4 17.4 0.5 CHA D:HEM200 3.4 17.9 0.5 CHD D:HEM200 3.4 16.8 0.5 CHC D:HEM200 3.4 18.6 0.5 CG D:HIS83 3.4 14.3 1.0 CHB D:HEM200 3.4 15.1 0.5 CHA D:HEM200 3.5 16.8 0.5 CE1 D:HIS83 3.9 14.9 1.0 ND1 D:HIS83 4.0 13.8 1.0 CE2 D:TYR166 4.1 22.2 1.0 CE1 D:TYR166 4.1 22.7 1.0 CB D:HIS83 4.1 13.1 1.0 C3B D:HEM200 4.2 19.5 0.5 C2B D:HEM200 4.2 18.7 0.5 C3C D:HEM200 4.2 19.1 0.5 C2C D:HEM200 4.2 19.4 0.5 C3B D:HEM200 4.3 16.5 0.5 C3A D:HEM200 4.3 17.7 0.5 C2A D:HEM200 4.3 18.1 0.5 C2D D:HEM200 4.3 17.4 0.5 OH D:TYR170 4.3 20.4 1.0 C2D D:HEM200 4.3 17.0 0.5 C2B D:HEM200 4.3 15.7 0.5 C2C D:HEM200 4.3 17.3 0.5 C3A D:HEM200 4.3 14.6 0.5 C3D D:HEM200 4.3 16.4 0.5 C3C D:HEM200 4.3 16.8 0.5 C3D D:HEM200 4.3 17.7 0.5 C2A D:HEM200 4.4 13.6 0.5 CE2 D:TYR170 4.5 19.1 1.0 CZ D:TYR170 4.7 19.7 1.0 O D:HOH15 4.9 22.3 1.0

J.C.Grigg, C.X.Mao, M.E.Murphy. Iron-Coordinating Tyrosine Is A Key Determinant of Neat Domain Heme Transfer. J.Mol.Biol. V. 413 684 2011.
ISSN: ISSN 0022-2836
PubMed: 21893067
DOI: 10.1016/J.JMB.2011.08.047