Iron in PDB 4y7s: Crystal Structure of the Cfem Protein CSA2

The structure of Crystal Structure of the Cfem Protein CSA2, PDB code: 4y7s was solved by H.Dvir, Z.Weissman, L.Nasser, D.Hiya, D.Kornitzer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.67 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.341, 61.208, 97.300, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 19.2

The structure of Crystal Structure of the Cfem Protein CSA2 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of the Cfem Protein CSA2 (pdb code 4y7s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of the Cfem Protein CSA2, PDB code: 4y7s:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of the Cfem Protein CSA2


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 the Cfem Protein CSA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:22.9 occ:1.00 FE A:HEB201 0.0 22.9 1.0 NB A:HEB201 2.0 16.8 1.0 ND A:HEB201 2.1 23.2 1.0 NC A:HEB201 2.1 24.7 1.0 NA A:HEB201 2.1 17.2 1.0 OD2 A:ASP80 2.2 23.8 1.0 C4B A:HEB201 3.0 20.5 1.0 C1B A:HEB201 3.1 21.0 1.0 C1D A:HEB201 3.1 28.8 1.0 C4C A:HEB201 3.1 22.2 1.0 C4D A:HEB201 3.1 33.0 1.0 C1A A:HEB201 3.1 21.2 1.0 C4A A:HEB201 3.1 20.4 1.0 C1C A:HEB201 3.1 14.0 1.0 CG A:ASP80 3.1 17.9 1.0 HB2 A:CYS83 3.3 26.9 1.0 OD1 A:ASP80 3.4 18.4 1.0 CHD A:HEB201 3.4 25.8 1.0 HE1 A:TYR36 3.4 50.7 1.0 CHA A:HEB201 3.4 23.6 1.0 CHC A:HEB201 3.5 24.9 1.0 CHB A:HEB201 3.5 19.1 1.0 CE1 A:TYR36 3.5 42.3 1.0 CD1 A:TYR36 3.6 42.6 1.0 HD1 A:TYR36 3.6 51.1 1.0 CZ A:TYR36 4.1 50.8 1.0 HD2 A:PRO77 4.2 28.9 1.0 CB A:CYS83 4.2 22.4 1.0 C3B A:HEB201 4.2 19.3 1.0 H A:CYS83 4.3 22.6 1.0 C2B A:HEB201 4.3 21.8 1.0 C2D A:HEB201 4.3 35.1 1.0 C3D A:HEB201 4.3 31.9 1.0 C3C A:HEB201 4.3 21.1 1.0 CG A:TYR36 4.3 43.4 1.0 C2A A:HEB201 4.3 26.2 1.0 C3A A:HEB201 4.3 18.7 1.0 C2C A:HEB201 4.3 24.3 1.0 HHB A:HEB201 4.4 23.0 1.0 HHD A:HEB201 4.4 31.0 1.0 HHA A:HEB201 4.4 28.3 1.0 HHC A:HEB201 4.4 29.9 1.0 CB A:ASP80 4.4 21.8 1.0 HB2 A:ASP80 4.5 26.1 1.0 HB3 A:CYS83 4.5 26.9 1.0 OH A:TYR36 4.7 47.5 1.0 HB3 A:TYR36 4.7 51.6 1.0 CE2 A:TYR36 4.7 47.2 1.0 HB3 A:ASP80 4.7 26.1 1.0 HG2 A:PRO77 4.8 30.4 1.0 N A:CYS83 4.8 18.8 1.0 CD2 A:TYR36 4.8 48.8 1.0 HD3 A:PRO77 4.9 28.9 1.0 CD A:PRO77 4.9 24.1 1.0 CA A:CYS83 5.0 17.0 1.0

Iron binding site 2 out of 3 in the Crystal Structure of the Cfem Protein CSA2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Cfem Protein CSA2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:20.7 occ:1.00 FE B:HEB201 0.0 20.7 1.0 NA B:HEB201 2.0 14.6 1.0 NC B:HEB201 2.0 19.2 1.0 NB B:HEB201 2.1 16.0 1.0 ND B:HEB201 2.1 20.1 1.0 OD2 B:ASP80 2.1 21.4 1.0 C4C B:HEB201 3.0 27.0 1.0 C1A B:HEB201 3.0 22.0 1.0 C4A B:HEB201 3.0 17.5 1.0 C4B B:HEB201 3.1 16.1 1.0 C1D B:HEB201 3.1 16.5 1.0 C1C B:HEB201 3.1 24.0 1.0 CG B:ASP80 3.1 25.5 1.0 C4D B:HEB201 3.1 19.9 1.0 C1B B:HEB201 3.1 16.3 1.0 HB2 B:CYS83 3.2 25.6 1.0 OD1 B:ASP80 3.4 18.7 1.0 CHD B:HEB201 3.4 28.7 1.0 CHB B:HEB201 3.4 17.3 1.0 CHA B:HEB201 3.4 21.6 1.0 CHC B:HEB201 3.5 19.0 1.0 CE1 B:TYR36 3.5 22.4 1.0 CD1 B:TYR36 3.7 21.7 1.0 HE1 B:TYR36 3.7 26.9 1.0 CZ B:TYR36 3.8 25.4 1.0 HD1 B:TYR36 3.9 26.0 1.0 CG B:TYR36 4.0 21.2 1.0 CB B:CYS83 4.1 21.4 1.0 CE2 B:TYR36 4.1 28.1 1.0 H B:CYS83 4.2 25.9 1.0 C2A B:HEB201 4.2 18.5 1.0 CD2 B:TYR36 4.2 22.7 1.0 C3A B:HEB201 4.3 15.1 1.0 C3C B:HEB201 4.3 23.0 1.0 HD2 B:PRO77 4.3 37.3 1.0 C3B B:HEB201 4.3 16.4 1.0 C2C B:HEB201 4.3 18.8 1.0 C3D B:HEB201 4.3 31.0 1.0 C2B B:HEB201 4.3 18.7 1.0 C2D B:HEB201 4.3 24.3 1.0 HHD B:HEB201 4.4 34.5 1.0 OH B:TYR36 4.4 29.9 1.0 HHB B:HEB201 4.4 20.8 1.0 HHA B:HEB201 4.4 25.9 1.0 CB B:ASP80 4.4 22.7 1.0 HB3 B:CYS83 4.4 25.6 1.0 HHC B:HEB201 4.4 22.8 1.0 HB2 B:ASP80 4.5 27.2 1.0 HB3 B:TYR36 4.6 24.8 1.0 HG2 B:PRO77 4.7 32.0 1.0 HE2 B:TYR36 4.7 33.7 1.0 N B:CYS83 4.7 21.6 1.0 HB3 B:ASP80 4.7 27.2 1.0 HH B:TYR36 4.8 35.9 1.0 HD2 B:TYR36 4.8 27.2 1.0 CB B:TYR36 4.9 20.6 1.0 CA B:CYS83 4.9 21.6 1.0 HD3 B:PRO77 4.9 37.3 1.0 CD B:PRO77 5.0 31.1 1.0 HA B:CYS83 5.0 25.9 1.0

Iron binding site 3 out of 3 in the Crystal Structure of the Cfem Protein CSA2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Cfem Protein CSA2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:29.6 occ:1.00 FE C:HEB201 0.0 29.6 1.0 NA C:HEB201 2.0 26.1 1.0 ND C:HEB201 2.0 27.4 1.0 NC C:HEB201 2.1 30.9 1.0 NB C:HEB201 2.1 23.2 1.0 OD2 C:ASP80 2.2 28.8 1.0 C1D C:HEB201 3.0 29.0 1.0 C4C C:HEB201 3.0 24.1 1.0 C4A C:HEB201 3.0 20.8 1.0 C1A C:HEB201 3.0 25.2 1.0 C1B C:HEB201 3.1 24.2 1.0 C4D C:HEB201 3.1 26.3 1.0 CG C:ASP80 3.1 27.1 1.0 C4B C:HEB201 3.1 25.5 1.0 C1C C:HEB201 3.2 30.1 1.0 HB2 C:CYS83 3.2 30.2 1.0 CHD C:HEB201 3.3 25.6 1.0 OD1 C:ASP80 3.3 21.1 1.0 CHB C:HEB201 3.4 25.0 1.0 CHA C:HEB201 3.5 33.2 1.0 CD1 C:TYR36 3.5 44.5 1.0 CHC C:HEB201 3.5 35.5 1.0 HD1 C:TYR36 3.7 53.5 1.0 CE1 C:TYR36 3.7 59.8 1.0 CG C:TYR36 3.8 43.1 1.0 HE1 C:TYR36 3.9 71.8 1.0 HB3 C:TYR36 3.9 46.6 1.0 CZ C:TYR36 4.1 73.0 1.0 CB C:CYS83 4.2 25.2 1.0 CD2 C:TYR36 4.2 62.9 1.0 C2D C:HEB201 4.2 32.5 1.0 C3A C:HEB201 4.2 21.0 1.0 C2A C:HEB201 4.3 25.5 1.0 C3C C:HEB201 4.3 30.9 1.0 HHD C:HEB201 4.3 30.7 1.0 HD2 C:PRO77 4.3 40.0 1.0 H C:CYS83 4.3 26.4 1.0 C3D C:HEB201 4.3 30.4 1.0 C3B C:HEB201 4.3 33.5 1.0 C2B C:HEB201 4.3 25.5 1.0 CE2 C:TYR36 4.3 43.4 1.0 HHB C:HEB201 4.4 30.0 1.0 C2C C:HEB201 4.4 33.2 1.0 CB C:TYR36 4.4 38.8 1.0 HHA C:HEB201 4.4 39.9 1.0 CB C:ASP80 4.5 26.4 1.0 HHC C:HEB201 4.5 42.6 1.0 HB3 C:CYS83 4.5 30.2 1.0 HB2 C:ASP80 4.6 31.6 1.0 HD2 C:TYR36 4.7 75.5 1.0 HB2 C:TYR36 4.7 46.6 1.0 HB3 C:ASP80 4.8 31.6 1.0 N C:CYS83 4.8 22.0 1.0 HG2 C:PRO77 4.8 46.0 1.0 OH C:TYR36 4.9 69.7 1.0 HH C:TYR36 4.9 83.7 1.0 HE2 C:TYR36 4.9 52.1 1.0 HD3 C:PRO77 5.0 40.0 1.0 CA C:CYS83 5.0 24.8 1.0

L.Nasser, Z.Weissman, M.Pinsky, H.Amartely, H.Dvir, D.Kornitzer. Structural Basis of Haem-Iron Acquisition By Fungal Pathogens. Nat Microbiol V. 1 16156 2016.
ISSN: ESSN 2058-5276
PubMed: 27617569
DOI: 10.1038/NMICROBIOL.2016.156