Iron in PDB 6xal: Crystal Structure of Nzeb in Complex with Cyclo-(L-Trp-L-Val)

The structure of Crystal Structure of Nzeb in Complex with Cyclo-(L-Trp-L-Val), PDB code: 6xal was solved by V.V.Shende, Y.Khatri, S.A.Newmister, J.N.Sanders, P.Lindovska, F.Yu, T.J.Doyon, J.Kim, M.Movassaghi, K.N.Houk, D.H.Sherman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.31 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.805, 56.282, 56.094, 90, 101.74, 90
R / Rfree (%)	19.7 / 22.9

The binding sites of Iron atom in the Crystal Structure of Nzeb in Complex with Cyclo-(L-Trp-L-Val) (pdb code 6xal). 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 Nzeb in Complex with Cyclo-(L-Trp-L-Val), PDB code: 6xal:

Iron binding site 1 out of 1 in the Crystal Structure of Nzeb in Complex with Cyclo-(L-Trp-L-Val)


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 Nzeb in Complex with Cyclo-(L-Trp-L-Val) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:14.6 occ:1.00 FE A:HEM801 0.0 14.6 1.0 NB A:HEM801 2.0 12.9 1.0 NC A:HEM801 2.0 14.0 1.0 ND A:HEM801 2.0 12.3 1.0 NA A:HEM801 2.1 13.6 1.0 SG A:CYS351 2.4 15.5 1.0 C4B A:HEM801 3.1 12.6 1.0 C1C A:HEM801 3.1 12.7 1.0 O A:HOH1035 3.1 19.5 1.0 C4A A:HEM801 3.1 13.0 1.0 C4D A:HEM801 3.1 14.7 1.0 C4C A:HEM801 3.1 13.6 1.0 C1D A:HEM801 3.1 13.8 1.0 C1B A:HEM801 3.1 14.3 1.0 C1A A:HEM801 3.1 14.9 1.0 CB A:CYS351 3.4 14.0 1.0 CHC A:HEM801 3.4 13.0 1.0 CHD A:HEM801 3.4 13.3 1.0 CHB A:HEM801 3.4 13.6 1.0 CHA A:HEM801 3.5 15.6 1.0 CA A:CYS351 4.1 16.2 1.0 C3A A:HEM801 4.3 12.7 1.0 C3B A:HEM801 4.3 15.6 1.0 C3C A:HEM801 4.3 15.4 1.0 C2C A:HEM801 4.3 14.3 1.0 C2B A:HEM801 4.3 14.2 1.0 C2A A:HEM801 4.3 13.8 1.0 C2D A:HEM801 4.3 15.4 1.0 C3D A:HEM801 4.3 15.5 1.0 O A:ALA240 4.4 17.8 1.0 N A:GLY353 4.8 16.4 1.0 C8 A:UYG802 4.8 16.6 1.0 C A:CYS351 4.8 15.2 1.0 CD A:PRO352 4.9 16.1 1.0

V.V.Shende, Y.Khatri, S.A.Newmister, J.N.Sanders, P.Lindovska, F.Yu, T.J.Doyon, J.Kim, M.Movassaghi, K.N.Houk, D.H.Sherman. Crystal Structure of Nzeb in Complex with Cyclo-(L-Trp-L-Val) To Be Published.