Iron in PDB 5v0f: Crystal Structure of C-As Lyase with Mutation K105A and Substrate Roxarsone

The structure of Crystal Structure of C-As Lyase with Mutation K105A and Substrate Roxarsone, PDB code: 5v0f was solved by S.Venkadesh, M.Yoshinaga, B.Sankaran, P.Kandavelu, B.P.Rosen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.38 / 2.23
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.730, 41.730, 119.140, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 26.7

The structure of Crystal Structure of C-As Lyase with Mutation K105A and Substrate Roxarsone also contains other interesting chemical elements:

Arsenic	(As)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Crystal Structure of C-As Lyase with Mutation K105A and Substrate Roxarsone (pdb code 5v0f). 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 C-As Lyase with Mutation K105A and Substrate Roxarsone, PDB code: 5v0f:

Iron binding site 1 out of 1 in the Crystal Structure of C-As Lyase with Mutation K105A and Substrate Roxarsone


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 C-As Lyase with Mutation K105A and Substrate Roxarsone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:37.5 occ:0.34 O A:HOH307 2.8 40.0 1.0 O A:HOH303 2.9 39.0 1.0 NE2 A:HIS65 3.1 26.5 1.0 AS A:RXO201 3.5 47.7 0.7 NE2 A:GLN8 3.6 29.2 1.0 CE1 A:HIS65 3.6 30.6 1.0 C1 A:RXO201 3.7 39.0 0.7 C6 A:RXO201 3.7 35.9 0.7 CG1 A:VAL51 3.9 26.9 1.0 SG A:CYS99 4.0 61.8 1.0 CG2 A:VAL51 4.2 27.0 1.0 CD2 A:HIS65 4.3 22.7 1.0 OE2 A:GLU117 4.3 29.4 1.0 CD A:GLN8 4.5 30.3 1.0 C2 A:RXO201 4.5 33.3 0.7 CB A:VAL51 4.5 25.5 1.0 C5 A:RXO201 4.6 35.2 0.7 CB A:ALA10 4.7 21.7 1.0 O A:HOH325 4.7 34.9 1.0 OE1 A:GLN8 4.7 34.8 1.0 CB A:CYS99 4.8 51.0 1.0 CE1 A:TYR38 4.9 28.1 1.0 ND1 A:HIS65 4.9 30.4 1.0 CD1 A:ILE53 5.0 24.9 1.0

S.Venkadesh, M.Yoshinaga, B.Sankaran, P.Kandavelu, B.P.Rosen. Crystal Structure of C-As Lyase with Mutation K105A and Substrate Roxarsone. To Be Published.