Iron in PDB 4pnj: Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data

The structure of Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data, PDB code: 4pnj was solved by A.Cohen, A.Gonzalez, W.Lam, A.Lyubimov, N.Sauter, Y.Tsai, M.Uervirojnangkoorn, A.Brunger, M.Soltis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.11 / 1.36
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.309, 90.309, 45.204, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 18.8

The binding sites of Iron atom in the Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data (pdb code 4pnj). 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 Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data, PDB code: 4pnj:

Iron binding site 1 out of 1 in the Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.6 occ:1.00 FE A:HEM201 0.0 14.6 1.0 NC A:HEM201 2.0 13.4 1.0 ND A:HEM201 2.0 12.9 1.0 NA A:HEM201 2.0 12.7 1.0 NB A:HEM201 2.1 12.4 1.0 NE2 A:HIS93 2.2 12.6 1.0 O A:HOH443 2.2 13.7 1.0 C4D A:HEM201 3.0 13.5 1.0 C4C A:HEM201 3.0 13.0 1.0 C1C A:HEM201 3.0 13.1 1.0 C1A A:HEM201 3.0 12.6 1.0 C1D A:HEM201 3.0 13.1 1.0 C1B A:HEM201 3.1 12.6 1.0 C4B A:HEM201 3.1 12.3 1.0 C4A A:HEM201 3.1 12.3 1.0 CE1 A:HIS93 3.1 13.1 1.0 CD2 A:HIS93 3.2 11.5 1.0 HE1 A:HIS93 3.2 15.7 1.0 HD2 A:HIS93 3.4 13.8 1.0 CHA A:HEM201 3.4 12.7 1.0 CHD A:HEM201 3.4 12.8 1.0 CHB A:HEM201 3.4 12.3 1.0 CHC A:HEM201 3.4 13.2 1.0 HE2 A:HIS64 3.6 17.5 1.0 HG22 A:VAL68 3.9 16.7 1.0 ND1 A:HIS93 4.2 14.2 1.0 C2C A:HEM201 4.3 12.9 1.0 C3D A:HEM201 4.3 14.7 1.0 C2D A:HEM201 4.3 14.1 1.0 C3C A:HEM201 4.3 13.6 1.0 C2B A:HEM201 4.3 12.7 1.0 C2A A:HEM201 4.3 12.4 1.0 C3B A:HEM201 4.3 12.8 1.0 C3A A:HEM201 4.3 12.2 1.0 CG A:HIS93 4.3 12.7 1.0 HHA A:HEM201 4.4 15.2 1.0 HHD A:HEM201 4.4 15.4 1.0 NE2 A:HIS64 4.4 14.6 1.0 HHC A:HEM201 4.4 15.8 1.0 HHB A:HEM201 4.4 14.8 1.0 HD11 A:LEU89 4.4 19.6 1.0 HZ A:PHE43 4.5 17.7 1.0 HE1 A:HIS64 4.5 16.7 1.0 HE2 A:PHE43 4.6 17.9 1.0 HG21 A:VAL68 4.6 16.7 1.0 HD2 A:HIS97 4.6 18.7 1.0 HG13 A:ILE99 4.7 18.1 1.0 CG2 A:VAL68 4.7 13.9 1.0 CE1 A:HIS64 4.8 13.9 1.0

A.E.Cohen, S.M.Soltis, A.Gonzalez, L.Aguila, R.Alonso-Mori, C.O.Barnes, E.L.Baxter, W.Brehmer, A.S.Brewster, A.T.Brunger, G.Calero, J.F.Chang, M.Chollet, P.Ehrensberger, T.L.Eriksson, Y.Feng, J.Hattne, B.Hedman, M.Hollenbeck, J.M.Holton, S.Keable, B.K.Kobilka, E.Kovaleva, A.C.Kruse, H.Lemke, G.Lin, A.Y.Lyubimov, A.Manglik, I.I.Mathews, S.E.Mcphillips, S.Nelson, J.W.Peters, N.K.Sauter, C.A.Smith, J.Song, H.P.Stevenson, Y.Tsai, M.Uervirojnangkoorn, V.Vinetsky, S.Wakatsuki, W.I.Weis, O.A.Zadvorny, O.B.Zeldin, D.Zhu, K.O.Hodgson. Goniometer-Based Femtosecond Crystallography Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490