Iron in PDB 4gnw: Crystal Structure of Nitrophorin 4 Triple Mutant Complex with Ammonia

The structure of Crystal Structure of Nitrophorin 4 Triple Mutant Complex with Ammonia, PDB code: 4gnw 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)	60.40 / 1.15
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.740, 69.740, 141.676, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 18.1

The binding sites of Iron atom in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with Ammonia (pdb code 4gnw). 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 Ammonia, PDB code: 4gnw:
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 Ammonia


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 Ammonia within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:10.7 occ:0.50 FE A:HEM201 0.0 10.7 0.5 FE A:HEM201 0.1 11.2 0.5 NA A:HEM201 1.9 12.4 0.5 NC A:HEM201 1.9 10.9 0.5 NA A:HEM201 1.9 10.6 0.5 NE2 A:HIS59 1.9 10.0 1.0 NC A:HEM201 1.9 10.4 0.5 ND A:HEM201 2.1 8.1 0.5 NB A:HEM201 2.1 9.4 0.5 NB A:HEM201 2.1 8.6 0.5 ND A:HEM201 2.1 8.5 0.5 N A:NH3202 2.1 11.8 1.0 CE1 A:HIS59 2.9 10.3 1.0 CD2 A:HIS59 2.9 10.4 1.0 C1A A:HEM201 3.0 10.7 0.5 C4C A:HEM201 3.0 11.0 0.5 C4A A:HEM201 3.0 13.8 0.5 C1A A:HEM201 3.0 12.6 0.5 C4C A:HEM201 3.0 11.2 0.5 C4A A:HEM201 3.0 12.0 0.5 C1C A:HEM201 3.0 10.3 0.5 C4B A:HEM201 3.0 10.4 0.5 C1C A:HEM201 3.0 10.9 0.5 C1D A:HEM201 3.1 10.2 0.5 C4B A:HEM201 3.1 10.6 0.5 C4D A:HEM201 3.1 10.6 0.5 C4D A:HEM201 3.1 11.7 0.5 C1D A:HEM201 3.1 12.0 0.5 C1B A:HEM201 3.1 12.1 0.5 C1B A:HEM201 3.1 10.4 0.5 CHA A:HEM201 3.4 9.7 0.5 CHD A:HEM201 3.4 9.8 0.5 CHC A:HEM201 3.4 10.3 0.5 CHC A:HEM201 3.4 10.2 0.5 CHA A:HEM201 3.4 14.1 0.5 CHD A:HEM201 3.5 12.5 0.5 CHB A:HEM201 3.5 12.2 0.5 CHB A:HEM201 3.5 13.6 0.5 ND1 A:HIS59 4.0 10.3 1.0 CG A:HIS59 4.1 10.7 1.0 C3C A:HEM201 4.2 11.6 0.5 C2A A:HEM201 4.2 11.8 0.5 C2A A:HEM201 4.2 13.8 0.5 C3A A:HEM201 4.2 12.2 0.5 C3C A:HEM201 4.2 10.6 0.5 C3A A:HEM201 4.2 15.2 0.5 C2C A:HEM201 4.3 12.4 0.5 C2C A:HEM201 4.3 10.7 0.5 C3B A:HEM201 4.3 12.1 0.5 C3B A:HEM201 4.3 12.2 0.5 C3D A:HEM201 4.4 13.0 0.5 C2D A:HEM201 4.4 12.4 0.5 C3D A:HEM201 4.4 15.3 0.5 C2D A:HEM201 4.4 14.5 0.5 C2B A:HEM201 4.4 11.4 0.5 C2B A:HEM201 4.4 13.1 0.5 O A:HOH518 4.7 30.8 1.0 O A:HOH346 4.8 19.1 1.0 CD2 A:LEU133 4.8 15.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with Ammonia


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 Ammonia within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.2 occ:0.50 FE A:HEM201 0.0 11.2 0.5 FE A:HEM201 0.1 10.7 0.5 NA A:HEM201 1.9 10.6 0.5 NC A:HEM201 1.9 10.9 0.5 NA A:HEM201 1.9 12.4 0.5 NC A:HEM201 2.0 10.4 0.5 N A:NH3202 2.0 11.8 1.0 ND A:HEM201 2.1 8.1 0.5 NB A:HEM201 2.1 8.6 0.5 NE2 A:HIS59 2.1 10.0 1.0 ND A:HEM201 2.1 8.5 0.5 NB A:HEM201 2.1 9.4 0.5 C1A A:HEM201 3.0 10.7 0.5 C4C A:HEM201 3.0 11.0 0.5 C4A A:HEM201 3.0 12.0 0.5 C4A A:HEM201 3.0 13.8 0.5 C1A A:HEM201 3.0 12.6 0.5 C4C A:HEM201 3.0 11.2 0.5 C1C A:HEM201 3.0 10.3 0.5 CE1 A:HIS59 3.0 10.3 1.0 C4B A:HEM201 3.0 10.4 0.5 C1D A:HEM201 3.0 10.2 0.5 CD2 A:HIS59 3.1 10.4 1.0 C1C A:HEM201 3.1 10.9 0.5 C4D A:HEM201 3.1 10.6 0.5 C4D A:HEM201 3.1 11.7 0.5 C1D A:HEM201 3.1 12.0 0.5 C4B A:HEM201 3.1 10.6 0.5 C1B A:HEM201 3.1 10.4 0.5 C1B A:HEM201 3.1 12.1 0.5 CHA A:HEM201 3.4 9.7 0.5 CHD A:HEM201 3.4 9.8 0.5 CHC A:HEM201 3.4 10.3 0.5 CHA A:HEM201 3.4 14.1 0.5 CHB A:HEM201 3.5 13.6 0.5 CHD A:HEM201 3.5 12.5 0.5 CHC A:HEM201 3.5 10.2 0.5 CHB A:HEM201 3.5 12.2 0.5 ND1 A:HIS59 4.2 10.3 1.0 C2A A:HEM201 4.2 11.8 0.5 CG A:HIS59 4.2 10.7 1.0 C2A A:HEM201 4.2 13.8 0.5 C3C A:HEM201 4.2 11.6 0.5 C3A A:HEM201 4.2 12.2 0.5 C3C A:HEM201 4.2 10.6 0.5 C3A A:HEM201 4.2 15.2 0.5 C2C A:HEM201 4.3 12.4 0.5 C2C A:HEM201 4.3 10.7 0.5 C3B A:HEM201 4.3 12.1 0.5 C3D A:HEM201 4.3 13.0 0.5 C3B A:HEM201 4.4 12.2 0.5 C2D A:HEM201 4.4 12.4 0.5 C3D A:HEM201 4.4 15.3 0.5 C2B A:HEM201 4.4 11.4 0.5 C2D A:HEM201 4.4 14.5 0.5 C2B A:HEM201 4.4 13.1 0.5 O A:HOH518 4.6 30.8 1.0 O A:HOH346 4.7 19.1 1.0 CD2 A:LEU133 4.7 15.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with Ammonia


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 Ammonia within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:14.0 occ:0.50 FE B:HEM201 0.0 14.0 0.5 FE B:HEM201 0.1 13.1 0.5 NA B:HEM201 1.9 13.1 0.5 NC B:HEM201 1.9 15.2 0.5 NC B:HEM201 1.9 14.9 0.5 NA B:HEM201 1.9 16.8 0.5 N B:NH3202 2.0 14.3 1.0 NE2 B:HIS59 2.0 13.1 1.0 NB B:HEM201 2.0 10.1 0.5 NB B:HEM201 2.1 11.7 0.5 ND B:HEM201 2.1 14.9 0.5 ND B:HEM201 2.1 11.6 0.5 C4C B:HEM201 2.9 14.9 0.5 C4C B:HEM201 2.9 14.7 0.5 C1A B:HEM201 3.0 12.5 0.5 C1A B:HEM201 3.0 15.3 0.5 CE1 B:HIS59 3.0 13.4 1.0 C4A B:HEM201 3.0 13.0 0.5 C1C B:HEM201 3.0 13.0 0.5 C1C B:HEM201 3.0 14.7 0.5 C4A B:HEM201 3.0 14.2 0.5 C4B B:HEM201 3.0 11.9 0.5 C1D B:HEM201 3.0 14.5 0.5 C4B B:HEM201 3.0 12.9 0.5 CD2 B:HIS59 3.1 13.5 1.0 C1D B:HEM201 3.1 14.6 0.5 C1B B:HEM201 3.1 11.7 0.5 C4D B:HEM201 3.1 15.2 0.5 C1B B:HEM201 3.2 14.0 0.5 C4D B:HEM201 3.2 14.0 0.5 CHD B:HEM201 3.4 13.9 0.5 CHD B:HEM201 3.4 15.2 0.5 CHC B:HEM201 3.4 12.2 0.5 CHC B:HEM201 3.5 15.2 0.5 CHA B:HEM201 3.5 13.3 0.5 CHB B:HEM201 3.5 13.6 0.5 CHA B:HEM201 3.5 17.4 0.5 CHB B:HEM201 3.5 15.3 0.5 ND1 B:HIS59 4.2 13.4 1.0 C3C B:HEM201 4.2 13.2 0.5 C3C B:HEM201 4.2 14.0 0.5 CG B:HIS59 4.2 13.8 1.0 C2A B:HEM201 4.2 12.8 0.5 C3A B:HEM201 4.2 13.4 0.5 C2A B:HEM201 4.3 16.4 0.5 C2C B:HEM201 4.3 17.1 0.5 C2C B:HEM201 4.3 15.1 0.5 C3A B:HEM201 4.3 17.1 0.5 C3B B:HEM201 4.3 15.1 0.5 C3B B:HEM201 4.4 12.5 0.5 C2D B:HEM201 4.4 15.0 0.5 C3D B:HEM201 4.4 15.9 0.5 C2B B:HEM201 4.4 14.6 0.5 C2D B:HEM201 4.4 16.5 0.5 C2B B:HEM201 4.5 15.3 0.5 C3D B:HEM201 4.5 17.5 0.5 O B:HOH489 4.6 20.8 1.0 CD2 B:LEU133 4.8 18.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Nitrophorin 4 Triple Mutant Complex with Ammonia


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 Ammonia within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:13.1 occ:0.50 FE B:HEM201 0.0 13.1 0.5 FE B:HEM201 0.1 14.0 0.5 NC B:HEM201 1.9 14.9 0.5 NA B:HEM201 1.9 16.8 0.5 NA B:HEM201 1.9 13.1 0.5 NC B:HEM201 2.0 15.2 0.5 NE2 B:HIS59 2.0 13.1 1.0 N B:NH3202 2.0 14.3 1.0 NB B:HEM201 2.0 11.7 0.5 NB B:HEM201 2.1 10.1 0.5 ND B:HEM201 2.1 11.6 0.5 ND B:HEM201 2.1 14.9 0.5 C4C B:HEM201 2.9 14.9 0.5 C1A B:HEM201 3.0 15.3 0.5 CE1 B:HIS59 3.0 13.4 1.0 C4A B:HEM201 3.0 14.2 0.5 CD2 B:HIS59 3.0 13.5 1.0 C4C B:HEM201 3.0 14.7 0.5 C1C B:HEM201 3.0 13.0 0.5 C1A B:HEM201 3.0 12.5 0.5 C4B B:HEM201 3.0 12.9 0.5 C1C B:HEM201 3.0 14.7 0.5 C4B B:HEM201 3.1 11.9 0.5 C1D B:HEM201 3.1 14.6 0.5 C4A B:HEM201 3.1 13.0 0.5 C1D B:HEM201 3.1 14.5 0.5 C1B B:HEM201 3.1 14.0 0.5 C4D B:HEM201 3.1 15.2 0.5 C1B B:HEM201 3.2 11.7 0.5 C4D B:HEM201 3.2 14.0 0.5 CHD B:HEM201 3.4 15.2 0.5 CHD B:HEM201 3.4 13.9 0.5 CHC B:HEM201 3.4 12.2 0.5 CHC B:HEM201 3.5 15.2 0.5 CHB B:HEM201 3.5 15.3 0.5 CHA B:HEM201 3.5 13.3 0.5 CHA B:HEM201 3.5 17.4 0.5 CHB B:HEM201 3.5 13.6 0.5 ND1 B:HIS59 4.1 13.4 1.0 C3C B:HEM201 4.1 13.2 0.5 CG B:HIS59 4.1 13.8 1.0 C2A B:HEM201 4.2 16.4 0.5 C3C B:HEM201 4.2 14.0 0.5 C2C B:HEM201 4.2 17.1 0.5 C3A B:HEM201 4.2 17.1 0.5 C2A B:HEM201 4.2 12.8 0.5 C3A B:HEM201 4.3 13.4 0.5 C2C B:HEM201 4.3 15.1 0.5 C3B B:HEM201 4.3 12.5 0.5 C3B B:HEM201 4.4 15.1 0.5 C2D B:HEM201 4.4 16.5 0.5 C2D B:HEM201 4.4 15.0 0.5 C3D B:HEM201 4.4 15.9 0.5 C2B B:HEM201 4.4 15.3 0.5 C2B B:HEM201 4.5 14.6 0.5 C3D B:HEM201 4.5 17.5 0.5 O B:HOH489 4.7 20.8 1.0 CD2 B:LEU133 4.9 18.5 1.0

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