Iron in PDB 8vc8: Crystal Structure of Heme-Loaded Design: HEM_3.C9

The structure of Crystal Structure of Heme-Loaded Design: HEM_3.C9, PDB code: 8vc8 was solved by I.Kalvet, A.K.Bera, D.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.06 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.987, 39.622, 119.239, 90, 90, 90
R / Rfree (%)	18.9 / 23.2

The binding sites of Iron atom in the Crystal Structure of Heme-Loaded Design: HEM_3.C9 (pdb code 8vc8). 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 Heme-Loaded Design: HEM_3.C9, PDB code: 8vc8:

Iron binding site 1 out of 1 in the Crystal Structure of Heme-Loaded Design: HEM_3.C9


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 Heme-Loaded Design: HEM_3.C9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:23.9 occ:1.00 FE A:HEM302 0.0 23.9 1.0 ND A:HEM302 1.9 22.0 1.0 NB A:HEM302 2.0 26.8 1.0 NC A:HEM302 2.0 25.7 1.0 NA A:HEM302 2.0 20.5 1.0 SG A:CYS141 2.4 25.6 1.0 C1D A:HEM302 3.0 25.2 1.0 C4D A:HEM302 3.0 25.9 1.0 C4C A:HEM302 3.0 23.1 1.0 C4A A:HEM302 3.1 21.0 1.0 C1B A:HEM302 3.1 25.2 1.0 C1C A:HEM302 3.1 25.3 1.0 C1A A:HEM302 3.1 28.5 1.0 C4B A:HEM302 3.1 24.6 1.0 CB A:CYS141 3.3 21.4 1.0 CHD A:HEM302 3.4 23.6 1.0 CHB A:HEM302 3.5 23.6 1.0 CHC A:HEM302 3.5 26.5 1.0 CHA A:HEM302 3.5 28.6 1.0 O A:HOH456 4.0 49.4 1.0 C2D A:HEM302 4.2 28.6 1.0 C3D A:HEM302 4.2 30.4 1.0 CA A:CYS141 4.2 22.4 1.0 C3C A:HEM302 4.2 22.5 1.0 C2C A:HEM302 4.3 24.8 1.0 C3A A:HEM302 4.3 23.8 1.0 C3B A:HEM302 4.3 29.0 1.0 C2B A:HEM302 4.3 29.5 1.0 C2A A:HEM302 4.3 22.2 1.0 O A:HOH454 4.7 35.4 1.0 CB A:ALA143 4.9 25.9 1.0 C A:CYS141 5.0 27.4 1.0

R.Krishna, J.Wang, W.Ahern, P.Sturmfels, P.Venkatesh, I.Kalvet, G.R.Lee, F.S.Morey-Burrows, I.Anishchenko, I.R.Humphreys, R.Mchugh, D.Vafeados, X.Li, G.A.Sutherland, A.Hitchcock, C.N.Hunter, A.Kang, E.Brackenbrough, A.K.Bera, M.Baek, F.Dimaio, D.Baker. Generalized Biomolecular Modeling and Design with Rosettafold All-Atom. Science L2528 2024.
ISSN: ESSN 1095-9203
PubMed: 38452047
DOI: 10.1126/SCIENCE.ADL2528