Iron in PDB 8yza: Crystal Structure of Ptmb in Complex with Cyclo-(L-Trp-L-Trp) and Guanine

The structure of Crystal Structure of Ptmb in Complex with Cyclo-(L-Trp-L-Trp) and Guanine, PDB code: 8yza 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)	24.90 / 2.00
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.574, 88.574, 138.933, 90, 90, 90
R / Rfree (%)	19.2 / 20.7

The binding sites of Iron atom in the Crystal Structure of Ptmb in Complex with Cyclo-(L-Trp-L-Trp) and Guanine (pdb code 8yza). 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 in Complex with Cyclo-(L-Trp-L-Trp) and Guanine, PDB code: 8yza:

Iron binding site 1 out of 1 in the Crystal Structure of Ptmb in Complex with Cyclo-(L-Trp-L-Trp) and Guanine


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 in Complex with Cyclo-(L-Trp-L-Trp) and Guanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:33.5 occ:1.00 FE A:HEM503 0.0 33.5 1.0 NA A:HEM503 2.1 30.4 1.0 ND A:HEM503 2.1 33.2 1.0 NB A:HEM503 2.2 29.1 1.0 NC A:HEM503 2.2 29.2 1.0 SG A:CYS361 2.5 34.0 1.0 C1A A:HEM503 3.1 35.9 1.0 C4A A:HEM503 3.1 33.3 1.0 C1C A:HEM503 3.1 28.9 1.0 C4D A:HEM503 3.1 34.0 1.0 C1B A:HEM503 3.1 30.9 1.0 C4B A:HEM503 3.1 30.9 1.0 C1D A:HEM503 3.2 32.7 1.0 C4C A:HEM503 3.2 29.6 1.0 O A:HOH758 3.2 34.6 1.0 CB A:CYS361 3.3 30.4 1.0 CHA A:HEM503 3.4 34.6 1.0 CHC A:HEM503 3.4 27.6 1.0 CHB A:HEM503 3.4 29.5 1.0 CHD A:HEM503 3.5 33.2 1.0 CA A:CYS361 4.1 35.5 1.0 C8 A:GUN502 4.2 34.2 1.0 C2A A:HEM503 4.3 32.9 1.0 C3A A:HEM503 4.3 32.5 1.0 C3B A:HEM503 4.3 28.8 1.0 C2C A:HEM503 4.3 31.7 1.0 C3C A:HEM503 4.3 32.1 1.0 C3D A:HEM503 4.4 35.3 1.0 C2B A:HEM503 4.4 30.6 1.0 C2D A:HEM503 4.4 34.7 1.0 CD A:PRO362 4.8 35.5 1.0 N36 A:UYM501 4.9 36.9 1.0 N9 A:GUN502 4.9 34.6 1.0 C A:CYS361 4.9 35.2 1.0

G.Wei, B.Duan, T.P.Zhou, W.Tian, C.Sun, Z.Lin, Z.Deng, B.Wang, Z.Zhang, X.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 V. 121 90121 2024.
ISSN: ESSN 1091-6490
PubMed: 39508763
DOI: 10.1073/PNAS.2412890121