Iron in PDB 1s30: X-Ray Crystal Structure of Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site

The structure of X-Ray Crystal Structure of Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site, PDB code: 1s30 was solved by S.Jin, D.M.Kurtz Jr., Z.-J.Liu, J.Rose, B.-C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.71 / 2.05
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	48.748, 80.261, 99.850, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.8

The structure of X-Ray Crystal Structure of Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the X-Ray Crystal Structure of Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site (pdb code 1s30). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Crystal Structure of Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site, PDB code: 1s30:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Crystal Structure of Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site


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 Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:15.9 occ:0.85 OE2 A:GLU53 2.1 17.9 1.0 OE1 A:GLU128 2.1 12.2 1.0 OE2 A:GLU94 2.2 17.8 1.0 OE1 A:GLU94 2.3 14.4 1.0 O A:HOH1037 2.3 21.7 1.0 ND1 A:HIS131 2.3 10.8 1.0 CD A:GLU94 2.5 15.8 1.0 CD A:GLU128 2.9 15.8 1.0 CD A:GLU53 3.1 16.9 1.0 CE1 A:HIS131 3.2 10.7 1.0 OE2 A:GLU128 3.3 20.1 1.0 CG A:HIS131 3.3 13.6 1.0 OE1 A:GLU53 3.5 19.7 1.0 CB A:HIS131 3.7 13.5 1.0 ZN A:ZN601 3.7 25.2 0.8 CG A:GLU94 4.1 14.7 1.0 CA A:GLU128 4.1 13.9 1.0 OE1 A:GLU97 4.1 28.2 1.0 CG A:GLU128 4.1 16.7 1.0 CB A:GLU128 4.2 15.2 1.0 NE2 A:HIS131 4.3 12.6 1.0 CG A:GLU53 4.4 17.9 1.0 CE2 A:TYR27 4.4 12.1 1.0 OH A:TYR27 4.4 10.6 1.0 CD2 A:HIS131 4.4 12.8 1.0 CG2 A:THR49 4.5 10.1 1.0 CE1 A:HIS56 4.6 17.9 1.0 ND1 A:HIS56 4.7 18.8 1.0 N A:GLU128 4.9 14.9 1.0 CZ A:TYR27 4.9 13.5 1.0 CB A:GLU94 4.9 13.1 1.0 O A:GLU128 4.9 11.6 1.0

Iron binding site 2 out of 2 in the X-Ray Crystal Structure of Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site


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 Desulfovibrio Vulgaris Rubrerythrin with Displacement of Iron By Zinc at the Diiron Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:15.0 occ:1.00 SG A:CYS161 2.2 12.6 1.0 SG A:CYS174 2.3 15.3 1.0 SG A:CYS177 2.3 14.1 1.0 SG A:CYS158 2.3 14.1 1.0 CB A:CYS174 3.1 15.2 1.0 CB A:CYS158 3.2 17.2 1.0 CB A:CYS177 3.4 15.6 1.0 CB A:CYS161 3.4 12.4 1.0 N A:CYS177 3.8 16.2 1.0 N A:CYS161 3.8 14.4 1.0 CA A:CYS161 4.1 14.5 1.0 CA A:CYS177 4.1 16.0 1.0 CB A:TYR163 4.3 12.1 1.0 CB A:ASN160 4.6 16.1 1.0 CA A:CYS174 4.6 14.3 1.0 CB A:ALA176 4.6 12.8 1.0 CA A:CYS158 4.7 17.6 1.0 N A:TYR163 4.7 14.6 1.0 C A:CYS161 4.7 14.4 1.0 C A:ASN160 4.7 17.3 1.0 N A:GLY162 4.8 15.8 1.0 C A:ALA176 4.8 21.6 1.0 OD1 A:ASN160 4.8 15.5 1.0 C A:CYS177 4.8 15.1 1.0

S.Jin, D.M.Kurtz Jr., Z.-J.Liu, J.Rose, B.-C.Wang. Displacement of Iron By Zinc at the Diiron Site of Desulfovibrio Vulgaris Rubrerythrin: X-Ray Crystal Structure and Anomalous Scattering Analysis J.Inorg.Biochem. V. 98 786 2004.
ISSN: ISSN 0162-0134
PubMed: 15134924
DOI: 10.1016/J.JINORGBIO.2004.01.005