Iron in PDB 4nva: Predicting Protein Conformational Response in Prospective Ligand Discovery

The structure of Predicting Protein Conformational Response in Prospective Ligand Discovery, PDB code: 4nva was solved by M.Fischer, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.69 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.480, 76.510, 107.440, 90.00, 90.00, 90.00
R / Rfree (%)	12.4 / 15.3

The binding sites of Iron atom in the Predicting Protein Conformational Response in Prospective Ligand Discovery (pdb code 4nva). 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 Predicting Protein Conformational Response in Prospective Ligand Discovery, PDB code: 4nva:

Iron binding site 1 out of 1 in the Predicting Protein Conformational Response in Prospective Ligand Discovery


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Predicting Protein Conformational Response in Prospective Ligand Discovery within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:13.4 occ:1.00 FE A:HEM301 0.0 13.4 1.0 NA A:HEM301 2.0 12.7 1.0 ND A:HEM301 2.0 12.7 1.0 NB A:HEM301 2.0 13.0 1.0 NC A:HEM301 2.0 11.3 1.0 O A:HOH444 2.1 17.9 1.0 NE2 A:HIS175 2.2 13.2 1.0 C1D A:HEM301 3.1 13.0 1.0 C4B A:HEM301 3.1 13.0 1.0 C4D A:HEM301 3.1 13.8 1.0 C1C A:HEM301 3.1 11.7 1.0 C1B A:HEM301 3.1 12.7 1.0 C4C A:HEM301 3.1 11.8 1.0 C4A A:HEM301 3.1 13.9 1.0 C1A A:HEM301 3.1 14.0 1.0 CD2 A:HIS175 3.1 14.1 1.0 CE1 A:HIS175 3.2 13.9 1.0 CHD A:HEM301 3.4 12.3 1.0 CHC A:HEM301 3.4 12.6 1.0 CHA A:HEM301 3.4 13.7 1.0 CHB A:HEM301 3.5 14.1 1.0 NE1 A:TRP51 4.1 16.4 1.0 NE A:ARG48 4.1 17.1 0.6 O A:HOH571 4.3 21.1 1.0 CG A:HIS175 4.3 13.5 1.0 ND1 A:HIS175 4.3 13.8 1.0 C3B A:HEM301 4.3 12.7 1.0 C2C A:HEM301 4.3 12.2 1.0 C3A A:HEM301 4.3 15.1 1.0 C2A A:HEM301 4.3 15.0 1.0 C2B A:HEM301 4.3 13.0 1.0 C3C A:HEM301 4.3 12.3 1.0 C3D A:HEM301 4.3 13.3 1.0 C2D A:HEM301 4.4 13.5 1.0 O A:HOH570 4.6 29.4 0.4 CD1 A:TRP51 4.6 15.9 1.0 NH1 A:ARG48 4.7 18.4 0.6 O A:HOH636 4.7 35.3 0.9 CZ A:ARG48 4.9 18.9 0.6 CD A:ARG48 4.9 17.3 0.6

M.Fischer, R.G.Coleman, J.S.Fraser, B.K.Shoichet. Predicting Protein Conformational Response in Prospective Ligand Discovery To Be Published.