Iron in PDB 1u18: 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine

The structure of 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine, PDB code: 1u18 was solved by S.W.Vetter, D.B.Goodin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.00 / 1.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.820, 73.850, 65.380, 90.00, 98.57, 90.00
R / Rfree (%)	18.5 / 22.6

The binding sites of Iron atom in the 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine (pdb code 1u18). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine, PDB code: 1u18:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:32.4 occ:1.00 FE A:HEM201 0.0 32.4 1.0 NC A:HEM201 2.0 36.8 1.0 NA A:HEM201 2.0 33.0 1.0 NB A:HEM201 2.0 31.6 1.0 ND A:HEM201 2.1 36.3 1.0 O A:HOH410 2.2 28.6 1.0 NE2 A:HSM401 2.3 29.6 1.0 C1C A:HEM201 3.0 29.7 1.0 C4B A:HEM201 3.0 27.8 1.0 C4A A:HEM201 3.0 29.6 1.0 C1D A:HEM201 3.0 33.1 1.0 C4C A:HEM201 3.0 37.7 1.0 C1B A:HEM201 3.0 28.8 1.0 C1A A:HEM201 3.0 32.6 1.0 C4D A:HEM201 3.1 35.4 1.0 CD2 A:HSM401 3.2 31.9 1.0 CE1 A:HSM401 3.3 31.6 1.0 CHC A:HEM201 3.4 30.6 1.0 CHD A:HEM201 3.4 30.4 1.0 CHA A:HEM201 3.4 31.8 1.0 CHB A:HEM201 3.5 30.1 1.0 C2C A:HEM201 4.2 34.4 1.0 C3C A:HEM201 4.2 38.7 1.0 C3A A:HEM201 4.2 28.6 1.0 C2A A:HEM201 4.3 32.2 1.0 C3B A:HEM201 4.3 25.0 1.0 C2D A:HEM201 4.3 33.9 1.0 C3D A:HEM201 4.3 30.4 1.0 C2B A:HEM201 4.3 24.0 1.0 ND1 A:HSM401 4.4 29.8 1.0 CG A:HSM401 4.4 32.7 1.0 O A:HOH491 4.4 41.3 1.0

Iron binding site 2 out of 2 in the 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:38.8 occ:1.00 FE B:HEM201 0.0 38.8 1.0 ND B:HEM201 2.0 38.9 1.0 NA B:HEM201 2.0 33.9 1.0 NB B:HEM201 2.1 36.0 1.0 NC B:HEM201 2.1 39.2 1.0 O B:HOH417 2.3 32.3 1.0 NE2 B:HSM402 2.3 34.8 1.0 C1A B:HEM201 3.0 30.7 1.0 C1D B:HEM201 3.0 44.5 1.0 C4A B:HEM201 3.0 34.6 1.0 C1C B:HEM201 3.1 32.4 1.0 C4D B:HEM201 3.1 37.9 1.0 C4C B:HEM201 3.1 40.9 1.0 C4B B:HEM201 3.1 35.3 1.0 C1B B:HEM201 3.1 31.3 1.0 CE1 B:HSM402 3.2 33.8 1.0 CD2 B:HSM402 3.3 37.2 1.0 CHC B:HEM201 3.4 39.9 1.0 CHA B:HEM201 3.4 39.4 1.0 CHD B:HEM201 3.4 41.7 1.0 CHB B:HEM201 3.5 34.1 1.0 C2D B:HEM201 4.2 47.9 1.0 C3D B:HEM201 4.3 45.5 1.0 C2C B:HEM201 4.3 37.5 1.0 C2A B:HEM201 4.3 32.2 1.0 C3A B:HEM201 4.3 34.5 1.0 C3C B:HEM201 4.3 43.8 1.0 C3B B:HEM201 4.3 40.6 1.0 C2B B:HEM201 4.3 32.6 1.0 ND1 B:HSM402 4.4 39.0 1.0 CG B:HSM402 4.4 37.4 1.0 CD2 B:LEU124 5.0 36.7 1.0

S.W.Vetter, D.B.Goodin. 1.96 A Crystal Structure of H60C Mutant of Nitrophorin Complexed with Histamine To Be Published.