Iron in PDB 6vxv: Crystal Structure of Cyclo-L-Trp-L-Pro-Bound Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053

The structure of Crystal Structure of Cyclo-L-Trp-L-Pro-Bound Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053, PDB code: 6vxv was solved by Z.Luo, X.Jia, C.Sun, X.Qu, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.80 / 1.60
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.314, 91.836, 93.604, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.3

The structure of Crystal Structure of Cyclo-L-Trp-L-Pro-Bound Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053 also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Iron atom in the Crystal Structure of Cyclo-L-Trp-L-Pro-Bound Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053 (pdb code 6vxv). 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 Cyclo-L-Trp-L-Pro-Bound Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053, PDB code: 6vxv:

Iron binding site 1 out of 1 in the Crystal Structure of Cyclo-L-Trp-L-Pro-Bound Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053


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 Cyclo-L-Trp-L-Pro-Bound Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:16.6 occ:1.00 FE A:HEM404 0.0 16.6 1.0 NC A:HEM404 2.0 13.6 1.0 ND A:HEM404 2.0 13.3 1.0 NB A:HEM404 2.0 13.9 1.0 NA A:HEM404 2.1 14.7 1.0 SG A:CYS348 2.4 18.0 1.0 O A:HOH632 2.8 23.3 1.0 C1B A:HEM404 3.0 15.4 1.0 C1C A:HEM404 3.0 13.7 1.0 C4B A:HEM404 3.0 16.2 1.0 C4D A:HEM404 3.1 15.5 1.0 C1D A:HEM404 3.1 17.3 1.0 C4C A:HEM404 3.1 14.6 1.0 C4A A:HEM404 3.1 15.0 1.0 C1A A:HEM404 3.1 15.3 1.0 CB A:CYS348 3.4 14.9 1.0 CHC A:HEM404 3.4 15.9 1.0 CHD A:HEM404 3.4 17.1 1.0 CHB A:HEM404 3.4 16.8 1.0 CHA A:HEM404 3.4 15.5 1.0 CA A:CYS348 4.1 14.6 1.0 O A:ALA237 4.2 17.9 1.0 C2B A:HEM404 4.3 15.7 1.0 C3B A:HEM404 4.3 15.1 1.0 C2C A:HEM404 4.3 18.4 1.0 C3C A:HEM404 4.3 14.6 1.0 C2D A:HEM404 4.3 15.8 1.0 C3D A:HEM404 4.3 14.4 1.0 C3A A:HEM404 4.3 17.2 1.0 C2A A:HEM404 4.3 16.4 1.0 HZ3 A:QRP402 4.4 21.7 1.0 HHD A:HEM404 4.4 20.5 1.0 HHC A:HEM404 4.4 19.1 1.0 HHB A:HEM404 4.4 20.1 1.0 HHA A:HEM404 4.4 18.5 1.0 N A:GLY350 4.6 15.1 1.0 HH2 A:QRP402 4.7 23.3 1.0 HNE1 A:QRP403 4.7 20.4 1.0 C A:CYS348 4.8 15.9 1.0 CZ3 A:QRP402 4.9 18.1 1.0 CA A:GLY350 4.9 16.0 1.0 CD A:PRO349 4.9 15.8 1.0

C.Sun, Z.Luo, W.Zhang, Z.Deng, M.Mobli, B.Kobe, X.Jia, X.Qu. Molecular Basis of Regio- and Stereo-Specificity in Biosynthesis of Bacterial Heterodimeric Diketopiperazines To Be Published.