Iron in PDB 8yxt: Crystal Structure of Ptmb

The structure of Crystal Structure of Ptmb, PDB code: 8yxt was solved by Z.Y.Zhang, X.D.Qu, B.R.Duan, G.Z.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.97 / 2.60
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.712, 88.712, 139.892, 90, 90, 90
R / Rfree (%)	22.7 / 26.1

The binding sites of Iron atom in the Crystal Structure of Ptmb (pdb code 8yxt). 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 Ptmb, PDB code: 8yxt:

Iron binding site 1 out of 1 in the Crystal Structure of Ptmb


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 Ptmb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:45.1 occ:1.00 FE A:HEM501 0.0 45.1 1.0 ND A:HEM501 2.2 51.2 1.0 NA A:HEM501 2.3 44.6 1.0 NC A:HEM501 2.3 47.5 1.0 NB A:HEM501 2.5 45.8 1.0 C4D A:HEM501 3.0 56.1 1.0 C1D A:HEM501 3.0 55.1 1.0 C1A A:HEM501 3.2 51.4 1.0 C4C A:HEM501 3.2 51.9 1.0 C4A A:HEM501 3.3 49.1 1.0 C1C A:HEM501 3.3 52.5 1.0 CHA A:HEM501 3.4 55.5 1.0 CHD A:HEM501 3.4 48.0 1.0 C1B A:HEM501 3.5 47.7 1.0 C4B A:HEM501 3.5 46.1 1.0 SG A:CYS361 3.7 51.3 1.0 CHC A:HEM501 3.7 48.1 1.0 CHB A:HEM501 3.7 48.4 1.0 C2D A:HEM501 4.2 64.0 1.0 C3D A:HEM501 4.2 62.2 1.0 O A:ALA250 4.3 52.6 1.0 OG A:SER254 4.3 53.6 1.0 C3C A:HEM501 4.4 55.8 1.0 C2A A:HEM501 4.4 51.5 1.0 C3A A:HEM501 4.5 50.2 1.0 C2C A:HEM501 4.5 53.2 1.0 CB A:SER254 4.6 45.7 1.0 CB A:CYS361 4.6 54.0 1.0 C3B A:HEM501 4.6 50.6 1.0 C2B A:HEM501 4.7 49.1 1.0 CB A:ALA250 4.9 44.5 1.0 C A:ALA250 5.0 53.9 1.0

G.Z.Wei, B.R.Duan, T.P.Zhou, W.Tian, C.Sun, Z.Lin, Z.Deng, B.Wang, Z.Y.Zhang, X.D.Qu. A Nucleobase-Driven P450 Peroxidase System Enables Regio- and Stereo-Specific Formation of C─C and C─N Bonds Proc.Natl.Acad.Sci.Usa 2024.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2412890121