Iron in PDB 4grj: Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No

The structure of Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No, PDB code: 4grj was solved by A.Weichsel, A.V.Issaian, W.R.Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.31 / 1.15
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.640, 69.640, 141.100, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 18.5

The binding sites of Iron atom in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No (pdb code 4grj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No, PDB code: 4grj:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No


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 Nitrophorin 4 Triple Mutant Complex with No within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.5 occ:0.50 FE A:HEM201 0.0 11.5 0.5 FE A:HEM201 0.1 11.9 0.5 N A:NO202 1.8 14.0 1.0 NA A:HEM201 1.9 11.0 0.5 NA A:HEM201 1.9 13.7 0.5 NC A:HEM201 1.9 12.9 0.5 NC A:HEM201 1.9 11.7 0.5 NE2 A:HIS59 2.1 10.6 1.0 ND A:HEM201 2.1 11.7 0.5 ND A:HEM201 2.1 9.3 0.5 NB A:HEM201 2.1 10.4 0.5 NB A:HEM201 2.1 9.2 0.5 O A:NO202 2.8 18.1 1.0 C4A A:HEM201 3.0 12.6 0.5 C4A A:HEM201 3.0 11.7 0.5 C4C A:HEM201 3.0 11.1 0.5 C1A A:HEM201 3.0 12.8 0.5 C1A A:HEM201 3.0 11.6 0.5 C1C A:HEM201 3.0 10.7 0.5 C4C A:HEM201 3.0 12.5 0.5 C1C A:HEM201 3.0 11.1 0.5 CE1 A:HIS59 3.0 11.2 1.0 CD2 A:HIS59 3.0 10.8 1.0 C4B A:HEM201 3.1 11.0 0.5 C4D A:HEM201 3.1 12.0 0.5 C4B A:HEM201 3.1 11.2 0.5 C1D A:HEM201 3.1 11.5 0.5 C1D A:HEM201 3.1 11.8 0.5 C4D A:HEM201 3.1 13.5 0.5 C1B A:HEM201 3.1 12.4 0.5 C1B A:HEM201 3.1 10.5 0.5 CHD A:HEM201 3.4 10.0 0.5 CHC A:HEM201 3.4 11.1 0.5 CHA A:HEM201 3.4 14.2 0.5 CHD A:HEM201 3.4 13.2 0.5 CHA A:HEM201 3.4 12.4 0.5 CHC A:HEM201 3.4 11.0 0.5 CHB A:HEM201 3.4 12.3 0.5 CHB A:HEM201 3.5 13.5 0.5 ND1 A:HIS59 4.2 10.8 1.0 C2A A:HEM201 4.2 11.9 0.5 CG A:HIS59 4.2 11.0 1.0 C3A A:HEM201 4.2 12.4 0.5 C2A A:HEM201 4.2 13.4 0.5 C3A A:HEM201 4.2 13.8 0.5 C3C A:HEM201 4.2 11.3 0.5 C3C A:HEM201 4.2 9.9 0.5 C2C A:HEM201 4.2 12.3 0.5 C2C A:HEM201 4.2 11.0 0.5 C3B A:HEM201 4.4 11.9 0.5 C3B A:HEM201 4.4 11.9 0.5 C3D A:HEM201 4.4 14.1 0.5 C3D A:HEM201 4.4 14.8 0.5 C2D A:HEM201 4.4 14.8 0.5 C2D A:HEM201 4.4 13.4 0.5 C2B A:HEM201 4.4 12.2 0.5 C2B A:HEM201 4.4 12.8 0.5 CD2 A:LEU133 4.6 17.6 1.0 CD2 A:LEU130 4.8 21.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No


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 Nitrophorin 4 Triple Mutant Complex with No within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.9 occ:0.50 FE A:HEM201 0.0 11.9 0.5 FE A:HEM201 0.1 11.5 0.5 N A:NO202 1.8 14.0 1.0 NA A:HEM201 1.9 11.0 0.5 NC A:HEM201 1.9 11.7 0.5 NA A:HEM201 1.9 13.7 0.5 NC A:HEM201 1.9 12.9 0.5 ND A:HEM201 2.1 11.7 0.5 NB A:HEM201 2.1 9.2 0.5 ND A:HEM201 2.1 9.3 0.5 NB A:HEM201 2.1 10.4 0.5 NE2 A:HIS59 2.1 10.6 1.0 O A:NO202 2.8 18.1 1.0 C4A A:HEM201 3.0 11.7 0.5 C4C A:HEM201 3.0 11.1 0.5 C4A A:HEM201 3.0 12.6 0.5 C1A A:HEM201 3.0 11.6 0.5 C1A A:HEM201 3.0 12.8 0.5 C1C A:HEM201 3.0 11.1 0.5 C1C A:HEM201 3.0 10.7 0.5 C4C A:HEM201 3.0 12.5 0.5 C1D A:HEM201 3.1 11.8 0.5 C4D A:HEM201 3.1 12.0 0.5 C4B A:HEM201 3.1 11.2 0.5 CE1 A:HIS59 3.1 11.2 1.0 C4B A:HEM201 3.1 11.0 0.5 C1D A:HEM201 3.1 11.5 0.5 C1B A:HEM201 3.1 10.5 0.5 CD2 A:HIS59 3.1 10.8 1.0 C4D A:HEM201 3.1 13.5 0.5 C1B A:HEM201 3.1 12.4 0.5 CHD A:HEM201 3.4 10.0 0.5 CHA A:HEM201 3.4 14.2 0.5 CHC A:HEM201 3.4 11.1 0.5 CHA A:HEM201 3.4 12.4 0.5 CHB A:HEM201 3.4 13.5 0.5 CHC A:HEM201 3.4 11.0 0.5 CHD A:HEM201 3.4 13.2 0.5 CHB A:HEM201 3.5 12.3 0.5 C2A A:HEM201 4.2 11.9 0.5 C3A A:HEM201 4.2 12.4 0.5 C3C A:HEM201 4.2 9.9 0.5 C2A A:HEM201 4.2 13.4 0.5 ND1 A:HIS59 4.2 10.8 1.0 C3A A:HEM201 4.2 13.8 0.5 C3C A:HEM201 4.2 11.3 0.5 C2C A:HEM201 4.2 11.0 0.5 C2C A:HEM201 4.2 12.3 0.5 CG A:HIS59 4.3 11.0 1.0 C3D A:HEM201 4.3 14.1 0.5 C3B A:HEM201 4.3 11.9 0.5 C3B A:HEM201 4.4 11.9 0.5 C2D A:HEM201 4.4 13.4 0.5 C3D A:HEM201 4.4 14.8 0.5 C2D A:HEM201 4.4 14.8 0.5 C2B A:HEM201 4.4 12.2 0.5 C2B A:HEM201 4.5 12.8 0.5 CD2 A:LEU133 4.5 17.6 1.0 CD2 A:LEU130 4.7 21.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No


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 Nitrophorin 4 Triple Mutant Complex with No within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:14.8 occ:0.50 FE B:HEM201 0.0 14.8 0.5 FE B:HEM201 0.1 13.0 0.5 N B:NO202 1.8 17.7 1.0 NA B:HEM201 1.9 12.9 0.5 NC B:HEM201 1.9 16.1 0.5 NA B:HEM201 1.9 17.3 0.5 NC B:HEM201 1.9 15.7 0.5 NB B:HEM201 2.1 10.4 0.5 ND B:HEM201 2.1 14.8 0.5 NB B:HEM201 2.1 12.2 0.5 NE2 B:HIS59 2.1 13.7 1.0 ND B:HEM201 2.1 10.8 0.5 O B:NO202 2.8 23.2 1.0 C4C B:HEM201 2.9 14.9 0.5 C1C B:HEM201 3.0 13.2 0.5 C4C B:HEM201 3.0 13.4 0.5 C4A B:HEM201 3.0 12.1 0.5 C1A B:HEM201 3.0 13.2 0.5 C1A B:HEM201 3.0 15.9 0.5 C4A B:HEM201 3.0 15.3 0.5 C1D B:HEM201 3.0 14.4 0.5 C4B B:HEM201 3.0 12.6 0.5 C1C B:HEM201 3.1 15.3 0.5 CE1 B:HIS59 3.1 13.8 1.0 C4B B:HEM201 3.1 14.5 0.5 C4D B:HEM201 3.1 16.1 0.5 CD2 B:HIS59 3.1 13.9 1.0 C1B B:HEM201 3.1 11.5 0.5 C1D B:HEM201 3.1 13.8 0.5 C4D B:HEM201 3.2 14.2 0.5 C1B B:HEM201 3.2 13.7 0.5 CHD B:HEM201 3.3 13.0 0.5 CHC B:HEM201 3.4 12.9 0.5 CHD B:HEM201 3.4 15.4 0.5 CHB B:HEM201 3.5 13.2 0.5 CHA B:HEM201 3.5 17.8 0.5 CHA B:HEM201 3.5 13.0 0.5 CHB B:HEM201 3.5 15.2 0.5 CHC B:HEM201 3.5 15.8 0.5 C3C B:HEM201 4.2 12.1 0.5 C3C B:HEM201 4.2 12.2 0.5 ND1 B:HIS59 4.2 14.0 1.0 C3A B:HEM201 4.2 11.9 0.5 C2A B:HEM201 4.2 12.6 0.5 C2C B:HEM201 4.2 16.4 0.5 C3A B:HEM201 4.3 16.9 0.5 C2A B:HEM201 4.3 16.2 0.5 CG B:HIS59 4.3 14.6 1.0 C2C B:HEM201 4.3 14.8 0.5 C3B B:HEM201 4.3 15.2 0.5 C2D B:HEM201 4.4 14.8 0.5 C3B B:HEM201 4.4 15.1 0.5 C3D B:HEM201 4.4 16.6 0.5 C2B B:HEM201 4.4 14.8 0.5 C2D B:HEM201 4.5 17.6 0.5 C3D B:HEM201 4.5 18.4 0.5 C2B B:HEM201 4.5 15.9 0.5 CD2 B:LEU133 4.7 20.8 1.0 CD2 B:LEU123 4.9 17.0 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with No


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 Nitrophorin 4 Triple Mutant Complex with No within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:13.0 occ:0.50 FE B:HEM201 0.0 13.0 0.5 FE B:HEM201 0.1 14.8 0.5 N B:NO202 1.8 17.7 1.0 NA B:HEM201 1.9 17.3 0.5 NC B:HEM201 1.9 15.7 0.5 NA B:HEM201 1.9 12.9 0.5 NC B:HEM201 1.9 16.1 0.5 NE2 B:HIS59 2.0 13.7 1.0 NB B:HEM201 2.1 12.2 0.5 NB B:HEM201 2.1 10.4 0.5 ND B:HEM201 2.1 10.8 0.5 ND B:HEM201 2.1 14.8 0.5 O B:NO202 2.9 23.2 1.0 C4C B:HEM201 2.9 14.9 0.5 C1C B:HEM201 2.9 13.2 0.5 C4C B:HEM201 2.9 13.4 0.5 C4A B:HEM201 3.0 15.3 0.5 C1A B:HEM201 3.0 15.9 0.5 C1A B:HEM201 3.0 13.2 0.5 C4A B:HEM201 3.0 12.1 0.5 CE1 B:HIS59 3.0 13.8 1.0 CD2 B:HIS59 3.0 13.9 1.0 C4B B:HEM201 3.1 12.6 0.5 C4B B:HEM201 3.1 14.5 0.5 C1D B:HEM201 3.1 14.4 0.5 C1C B:HEM201 3.1 15.3 0.5 C1D B:HEM201 3.1 13.8 0.5 C4D B:HEM201 3.1 16.1 0.5 C1B B:HEM201 3.1 13.7 0.5 C4D B:HEM201 3.1 14.2 0.5 C1B B:HEM201 3.2 11.5 0.5 CHD B:HEM201 3.4 13.0 0.5 CHC B:HEM201 3.4 12.9 0.5 CHD B:HEM201 3.4 15.4 0.5 CHA B:HEM201 3.5 17.8 0.5 CHB B:HEM201 3.5 15.2 0.5 CHA B:HEM201 3.5 13.0 0.5 CHB B:HEM201 3.5 13.2 0.5 CHC B:HEM201 3.5 15.8 0.5 ND1 B:HIS59 4.2 14.0 1.0 C3C B:HEM201 4.2 12.2 0.5 C3C B:HEM201 4.2 12.1 0.5 CG B:HIS59 4.2 14.6 1.0 C2C B:HEM201 4.2 16.4 0.5 C3A B:HEM201 4.2 16.9 0.5 C2A B:HEM201 4.2 16.2 0.5 C2A B:HEM201 4.2 12.6 0.5 C3A B:HEM201 4.2 11.9 0.5 C2C B:HEM201 4.3 14.8 0.5 C3B B:HEM201 4.4 15.1 0.5 C3B B:HEM201 4.4 15.2 0.5 C2D B:HEM201 4.4 14.8 0.5 C3D B:HEM201 4.4 16.6 0.5 C2D B:HEM201 4.4 17.6 0.5 C2B B:HEM201 4.4 14.8 0.5 C3D B:HEM201 4.5 18.4 0.5 C2B B:HEM201 4.5 15.9 0.5 CD2 B:LEU133 4.8 20.8 1.0 CD2 B:LEU123 5.0 17.0 1.0

V.A.Issaian, A.Weichsel, W.R.Montfort. Crystal Structures of Nitrophorin 4 Triple Mutant To Be Published.