Iron in PDB 2hys: Crystal Structure of Nitrophorin 2 Complexed with Cyanide

The structure of Crystal Structure of Nitrophorin 2 Complexed with Cyanide, PDB code: 2hys was solved by A.Weichsel, W.R.Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 1.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	34.377, 34.377, 257.256, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.6

The binding sites of Iron atom in the Crystal Structure of Nitrophorin 2 Complexed with Cyanide (pdb code 2hys). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Nitrophorin 2 Complexed with Cyanide, PDB code: 2hys:

Iron binding site 1 out of 1 in the Crystal Structure of Nitrophorin 2 Complexed with Cyanide


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 2 Complexed with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:10.0 occ:1.00 FE A:HEM201 0.0 10.0 1.0 C A:CYN202 2.0 12.2 1.0 NB A:HEM201 2.0 10.8 1.0 ND A:HEM201 2.0 11.0 1.0 NA A:HEM201 2.0 10.8 1.0 NC A:HEM201 2.0 11.2 1.0 NE2 A:HIS57 2.1 10.2 1.0 C4B A:HEM201 3.0 9.4 1.0 C1C A:HEM201 3.0 10.1 1.0 C4C A:HEM201 3.0 11.5 1.0 C1D A:HEM201 3.0 11.3 1.0 C1B A:HEM201 3.0 12.0 1.0 C4D A:HEM201 3.0 9.5 1.0 CE1 A:HIS57 3.1 10.4 1.0 C4A A:HEM201 3.1 12.1 1.0 C1A A:HEM201 3.1 10.8 1.0 N A:CYN202 3.1 16.7 1.0 CD2 A:HIS57 3.1 9.9 1.0 CHC A:HEM201 3.4 10.3 1.0 CHA A:HEM201 3.4 12.0 1.0 CHD A:HEM201 3.4 10.4 1.0 CHB A:HEM201 3.5 12.1 1.0 ND1 A:HIS57 4.2 9.6 1.0 C3D A:HEM201 4.2 13.6 1.0 C3B A:HEM201 4.2 9.3 1.0 CG A:HIS57 4.2 9.2 1.0 C3C A:HEM201 4.2 11.2 1.0 C2C A:HEM201 4.2 9.9 1.0 C2B A:HEM201 4.3 10.4 1.0 C2D A:HEM201 4.3 12.0 1.0 C2A A:HEM201 4.3 12.2 1.0 C3A A:HEM201 4.3 12.9 1.0 O A:HOH502 4.5 25.7 1.0 CD2 A:LEU132 4.8 15.2 1.0

T.Kh.Shokhireva, A.Weichsel, K.M.Smith, R.E.Berry, N.V.Shokhirev, C.A.Balfour, H.Zhang, W.R.Montfort, F.A.Walker. Assignment of the Ferriheme Resonances of the Low-Spin Complexes of Nitrophorins 1 and 4 By (1)H and (13)C uc(Nmr) Spectroscopy: Comparison to Structural Data Obtained From X-Ray Crystallography. Inorg.Chem. V. 46 2041 2007.
ISSN: ISSN 0020-1669
PubMed: 17290983
DOI: 10.1021/IC061408L