Iron in PDB 9dfn: X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam

The structure of X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam, PDB code: 9dfn was solved by J.C.Lachowicz, T.G.Grove, J.B.Bonanno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.71 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.808, 57.838, 157.692, 90, 90, 90
R / Rfree (%)	16.9 / 19.7

The structure of X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam (pdb code 9dfn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam, PDB code: 9dfn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:11.9 occ:1.00 FE1 A:SF4401 0.0 11.9 1.0 S4 A:SF4401 2.2 12.5 1.0 SG A:CYS49 2.3 12.3 1.0 S2 A:SF4401 2.3 12.6 1.0 S3 A:SF4401 2.3 13.2 1.0 FE2 A:SF4401 2.7 12.8 1.0 FE3 A:SF4401 2.7 13.3 1.0 FE4 A:SF4401 2.8 13.0 1.0 CB A:CYS49 3.2 11.4 1.0 NH1 A:ARG153 3.6 17.0 1.0 S1 A:SF4401 3.9 13.7 1.0 N A:CYS49 4.0 10.6 1.0 O A:SAM402 4.1 14.8 1.0 CZ A:ARG153 4.1 15.5 1.0 CA A:CYS49 4.2 11.6 1.0 CB A:LYS47 4.5 14.1 1.0 NH2 A:ARG153 4.5 16.1 1.0 SG A:CYS45 4.6 13.6 1.0 SG A:CYS52 4.7 12.8 1.0 CB A:CYS52 4.8 12.0 1.0 N A:SAM402 4.8 15.8 1.0 NE A:ARG153 4.8 17.1 1.0 CD A:ARG153 5.0 16.6 1.0

Iron binding site 2 out of 4 in the X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:12.8 occ:1.00 FE2 A:SF4401 0.0 12.8 1.0 SG A:CYS45 2.2 13.6 1.0 S3 A:SF4401 2.2 13.2 1.0 S1 A:SF4401 2.3 13.7 1.0 S4 A:SF4401 2.4 12.5 1.0 FE3 A:SF4401 2.7 13.3 1.0 FE1 A:SF4401 2.7 11.9 1.0 FE4 A:SF4401 2.7 13.0 1.0 CB A:CYS45 3.3 14.2 1.0 N A:SAM402 3.8 15.8 1.0 S2 A:SF4401 3.8 12.6 1.0 O A:HOH800 4.2 14.7 1.0 O A:HOH578 4.3 14.8 1.0 O A:LYS47 4.4 13.5 1.0 CB A:LYS47 4.5 14.1 1.0 SG A:CYS52 4.6 12.8 1.0 C A:LYS47 4.7 13.0 1.0 N A:LYS47 4.7 13.1 1.0 O A:HOH602 4.7 13.1 1.0 CA A:CYS45 4.7 14.1 1.0 ND2 A:ASN117 4.7 13.9 1.0 O A:SAM402 4.7 14.8 1.0 SG A:CYS49 4.8 12.3 1.0 CA A:LYS47 4.8 13.0 1.0

Iron binding site 3 out of 4 in the X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:13.3 occ:1.00 FE3 A:SF4401 0.0 13.3 1.0 O A:SAM402 2.2 14.8 1.0 N A:SAM402 2.3 15.8 1.0 S4 A:SF4401 2.3 12.5 1.0 S2 A:SF4401 2.3 12.6 1.0 S1 A:SF4401 2.4 13.7 1.0 FE2 A:SF4401 2.7 12.8 1.0 FE1 A:SF4401 2.7 11.9 1.0 FE4 A:SF4401 2.9 13.0 1.0 C A:SAM402 3.0 14.7 1.0 CA A:SAM402 3.1 14.9 1.0 SD A:SAM402 3.3 17.9 1.0 CG A:SAM402 3.7 15.9 1.0 CB A:SAM402 3.9 14.2 1.0 S3 A:SF4401 4.0 13.2 1.0 CE A:SAM402 4.0 20.0 1.0 NH1 A:ARG153 4.0 17.0 1.0 OXT A:SAM402 4.2 13.8 1.0 SG A:CYS45 4.4 13.6 1.0 O A:GLY87 4.6 12.3 1.0 SG A:CYS49 4.8 12.3 1.0 CB A:ASN117 4.9 12.1 1.0 CZ A:ARG153 4.9 15.5 1.0 C2' A:SAM402 4.9 13.8 1.0 SG A:CYS52 5.0 12.8 1.0

Iron binding site 4 out of 4 in the X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Crystal Structure of the Second Viperin-Like Enzyme From Trichoderma Virens with Bound Ctp and Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:13.0 occ:1.00 FE4 A:SF4401 0.0 13.0 1.0 S1 A:SF4401 2.2 13.7 1.0 SG A:CYS52 2.2 12.8 1.0 S2 A:SF4401 2.3 12.6 1.0 S3 A:SF4401 2.3 13.2 1.0 FE2 A:SF4401 2.7 12.8 1.0 FE1 A:SF4401 2.8 11.9 1.0 FE3 A:SF4401 2.9 13.3 1.0 CB A:CYS52 3.2 12.0 1.0 O A:HOH800 3.8 14.7 1.0 S4 A:SF4401 4.0 12.5 1.0 CE A:SAM402 4.0 20.0 1.0 CA A:CYS52 4.2 12.3 1.0 SD A:SAM402 4.6 17.9 1.0 O A:HIS54 4.6 11.3 1.0 O A:HOH602 4.7 13.1 1.0 CB A:CYS49 4.7 11.4 1.0 SG A:CYS49 4.7 12.3 1.0 N A:SAM402 4.7 15.8 1.0 SG A:CYS45 4.8 13.6 1.0 O A:SAM402 4.8 14.8 1.0 C8 A:SAM402 5.0 12.4 1.0

J.C.Lachowicz, S.Grudman, J.B.Bonanno, A.Fiser, T.L.Grove. Structural Insights From Active Site Variants and B-8 Loop Interactions in Viperin-Like Enzymes To Be Published.