Iron in PDB 1e2u: Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A

The structure of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A, PDB code: 1e2u was solved by S.J.Cooper, S.Bailey, W.R.Hagen, P.F.Lindley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.630, 64.680, 152.290, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 18.4

The binding sites of Iron atom in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A (pdb code 1e2u). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A, PDB code: 1e2u:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:8.2 occ:1.00 FE1 A:SF4700 0.0 8.2 1.0 S4 A:SF4700 2.2 4.8 1.0 S2 A:SF4700 2.3 4.8 1.0 S3 A:SF4700 2.3 4.9 1.0 SG A:CYS3 2.3 5.4 1.0 FE4 A:SF4700 2.7 8.2 1.0 FE3 A:SF4700 2.7 8.2 1.0 FE2 A:SF4700 2.7 8.5 1.0 CB A:CYS3 3.3 6.6 1.0 S1 A:SF4700 3.9 5.6 1.0 NZ A:LYS23 4.0 8.9 1.0 C A:CYS3 4.0 6.6 1.0 O A:CYS3 4.1 7.3 1.0 CG A:GLN5 4.1 7.7 1.0 CE A:LYS23 4.2 7.1 1.0 CA A:CYS3 4.2 6.6 1.0 N A:GLN5 4.3 6.4 1.0 N A:PHE4 4.4 6.5 1.0 NE2 A:GLN5 4.6 6.4 1.0 SG A:CYS15 4.7 6.1 1.0 N A:CYS6 4.8 7.3 1.0 CA A:PHE4 4.9 6.9 1.0 SG A:CYS6 4.9 5.4 1.0 SG A:CYS21 4.9 5.7 1.0 CD A:GLN5 4.9 7.0 1.0 O A:HOH2048 5.0 8.1 1.0 C A:PHE4 5.0 7.1 1.0

Iron binding site 2 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:8.5 occ:1.00 FE2 A:SF4700 0.0 8.5 1.0 S3 A:SF4700 2.3 4.9 1.0 S1 A:SF4700 2.3 5.6 1.0 S4 A:SF4700 2.3 4.8 1.0 SG A:CYS21 2.3 5.7 1.0 FE3 A:SF4700 2.7 8.2 1.0 FE4 A:SF4700 2.7 8.2 1.0 FE1 A:SF4700 2.7 8.2 1.0 CB A:CYS21 3.3 7.2 1.0 S2 A:SF4700 3.9 4.8 1.0 N A:CYS21 3.9 7.8 1.0 CA A:GLY19 4.2 8.0 1.0 CA A:CYS21 4.3 7.0 1.0 CE A:LYS23 4.4 7.1 1.0 O A:HOH2134 4.4 7.7 1.0 N A:MET20 4.4 8.7 1.0 SG A:CYS6 4.5 5.4 1.0 CB A:LYS23 4.6 6.6 1.0 C A:GLY19 4.6 8.5 1.0 SG A:CYS15 4.7 6.1 1.0 CG2 A:THR71 4.8 6.6 1.0 SG A:CYS3 4.8 5.4 1.0 NZ A:LYS23 4.9 8.9 1.0 O A:HOH2587 4.9 11.7 1.0

Iron binding site 3 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:8.2 occ:1.00 FE3 A:SF4700 0.0 8.2 1.0 S2 A:SF4700 2.2 4.8 1.0 SG A:CYS6 2.3 5.4 1.0 S1 A:SF4700 2.3 5.6 1.0 S4 A:SF4700 2.3 4.8 1.0 FE2 A:SF4700 2.7 8.5 1.0 FE4 A:SF4700 2.7 8.2 1.0 FE1 A:SF4700 2.7 8.2 1.0 CB A:CYS6 3.2 7.9 1.0 N A:CYS6 3.7 7.3 1.0 S3 A:SF4700 3.8 4.9 1.0 CA A:CYS6 4.0 7.5 1.0 OG1 A:THR71 4.4 5.8 1.0 C A:CYS6 4.4 6.9 1.0 N A:THR9 4.5 8.1 1.0 O A:CYS6 4.5 7.1 1.0 CG2 A:THR71 4.5 6.6 1.0 CA A:THR9 4.6 8.1 1.0 O A:HOH2587 4.7 11.7 1.0 SG A:CYS21 4.7 5.7 1.0 CB A:THR9 4.8 8.2 1.0 SG A:CYS3 4.9 5.4 1.0 C A:GLN5 4.9 7.4 1.0 SG A:CYS15 4.9 6.1 1.0 C A:GLU8 4.9 6.9 1.0 N A:GLN5 4.9 6.4 1.0 CG A:GLN5 4.9 7.7 1.0 CB A:CYS21 4.9 7.2 1.0

Iron binding site 4 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:8.2 occ:1.00 FE4 A:SF4700 0.0 8.2 1.0 S1 A:SF4700 2.3 5.6 1.0 S3 A:SF4700 2.3 4.9 1.0 S2 A:SF4700 2.3 4.8 1.0 SG A:CYS15 2.3 6.1 1.0 FE1 A:SF4700 2.7 8.2 1.0 FE2 A:SF4700 2.7 8.5 1.0 FE3 A:SF4700 2.7 8.2 1.0 CB A:CYS15 3.3 9.1 1.0 S4 A:SF4700 3.9 4.8 1.0 N A:MET20 3.9 8.7 1.0 CA A:GLY19 4.1 8.0 1.0 O A:CYS3 4.1 7.3 1.0 OG1 A:THR9 4.1 6.5 1.0 CA A:THR9 4.1 8.1 1.0 CB A:THR9 4.4 8.2 1.0 C A:GLY19 4.5 8.5 1.0 CA A:CYS15 4.6 7.8 1.0 SG A:CYS3 4.6 5.4 1.0 SG A:CYS6 4.7 5.4 1.0 N A:CYS15 4.7 7.4 1.0 CB A:CYS3 4.7 6.6 1.0 N A:THR9 4.7 8.1 1.0 C A:CYS3 4.7 6.6 1.0 SG A:CYS21 4.8 5.7 1.0 N A:ALA10 4.9 7.2 1.0 N A:CYS21 4.9 7.8 1.0 CB A:MET20 4.9 9.9 1.0 CA A:MET20 5.0 8.4 1.0

Iron binding site 5 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:10.1 occ:1.00 FE5 A:FSO701 0.0 10.1 1.0 O10 A:FSO701 1.8 6.5 0.5 O10 A:FSO701 2.1 8.0 0.5 SG A:CYS434 2.3 7.0 1.0 S5 A:FSO701 2.3 7.7 1.0 S6 A:FSO701 2.3 7.2 1.0 FE6 A:FSO701 2.7 10.6 1.0 FE8 A:FSO701 3.1 11.8 1.0 CB A:CYS434 3.4 8.3 1.0 O8 A:FSO701 3.5 9.0 1.0 FE7 A:FSO701 3.7 8.7 1.0 CG A:GLU268 3.8 6.5 1.0 CD1 A:TRP292 3.9 8.3 1.0 O9 A:FSO701 4.2 10.2 1.0 SG A:CSS406 4.2 7.4 1.0 CB A:CSS406 4.2 8.7 1.0 N A:CYS434 4.3 7.2 1.0 NE1 A:TRP292 4.4 8.9 1.0 OE2 A:GLU268 4.4 8.8 1.0 CA A:CYS434 4.4 7.5 1.0 CD A:GLU268 4.4 9.2 1.0 O A:HOH2630 4.5 52.4 1.0 SD A:CSS406 4.5 9.9 1.0 CA A:CSS406 4.7 7.5 1.0 CE1 A:HIS244 4.8 7.7 1.0 NE2 A:HIS244 4.8 5.8 1.0 CG A:TRP292 4.9 7.2 1.0 SG A:CYS312 4.9 6.8 1.0

Iron binding site 6 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:10.6 occ:1.00 FE6 A:FSO701 0.0 10.6 1.0 O8 A:FSO701 2.0 9.0 1.0 S5 A:FSO701 2.2 7.7 1.0 S6 A:FSO701 2.3 7.2 1.0 SG A:CYS312 2.4 6.8 1.0 O A:HOH2630 2.5 52.4 1.0 FE5 A:FSO701 2.7 10.1 1.0 FE8 A:FSO701 3.1 11.8 1.0 CB A:CYS312 3.5 7.9 1.0 O10 A:FSO701 3.5 6.5 0.5 N A:CYS312 3.6 6.2 1.0 CD1 A:TRP292 3.9 8.3 1.0 OE2 A:GLU494 4.1 10.0 1.0 ND2 A:ASN311 4.1 7.6 1.0 CA A:CYS312 4.1 7.1 1.0 C A:ASN311 4.2 7.3 1.0 CG A:TRP292 4.2 7.2 1.0 O10 A:FSO701 4.3 8.0 0.5 O A:ASN311 4.3 8.0 1.0 NE1 A:TRP292 4.3 8.9 1.0 O9 A:FSO701 4.4 10.2 1.0 SG A:CYS434 4.6 7.0 1.0 CB A:TRP292 4.6 6.6 1.0 CG A:ASN311 4.6 6.1 1.0 CE1 A:HIS244 4.7 7.7 1.0 CD2 A:TRP292 4.8 8.8 1.0 CG A:GLU494 4.8 9.3 1.0 CE2 A:TRP292 4.8 8.2 1.0 CD A:GLU494 4.9 10.9 1.0 FE7 A:FSO701 5.0 8.7 1.0

Iron binding site 7 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:8.7 occ:1.00 FE7 A:FSO701 0.0 8.7 1.0 O10 A:FSO701 1.9 6.5 0.5 O10 A:FSO701 2.1 8.0 0.5 NE2 A:HIS244 2.1 5.8 1.0 O9 A:FSO701 2.1 10.2 1.0 OE2 A:GLU268 2.1 8.8 1.0 SG A:CYS459 2.4 6.7 1.0 CE1 A:HIS244 3.0 7.7 1.0 CD A:GLU268 3.1 9.2 1.0 CD2 A:HIS244 3.2 6.5 1.0 CG A:GLU268 3.3 6.5 1.0 FE8 A:FSO701 3.3 11.8 1.0 CB A:CYS459 3.4 7.0 1.0 FE5 A:FSO701 3.7 10.1 1.0 N A:CYS459 4.0 6.2 1.0 O8 A:FSO701 4.0 9.0 1.0 ND1 A:HIS244 4.2 6.7 1.0 CB A:GLU268 4.2 6.5 1.0 OE1 A:GLU268 4.2 7.1 1.0 CG A:HIS244 4.3 6.2 1.0 CA A:CYS459 4.3 6.1 1.0 SG A:CSS406 4.4 7.4 1.0 NZ A:LYS496 4.4 9.6 1.0 SD A:CSS406 4.5 9.9 1.0 S5 A:FSO701 4.7 7.7 1.0 S6 A:FSO701 4.9 7.2 1.0 CA A:GLY433 4.9 6.5 1.0 OE2 A:GLU494 4.9 10.0 1.0 FE6 A:FSO701 5.0 10.6 1.0 N A:CYS434 5.0 7.2 1.0

Iron binding site 8 out of 8 in the Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Low Temperature Structure of Hybrid Cluster Protein From Desulfovibrio Vulgaris to 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:11.8 occ:1.00 FE8 A:FSO701 0.0 11.8 1.0 O9 A:FSO701 2.0 10.2 1.0 OE2 A:GLU494 2.0 10.0 1.0 O8 A:FSO701 2.2 9.0 1.0 O10 A:FSO701 2.4 6.5 0.5 S6 A:FSO701 2.5 7.2 1.0 SD A:CSS406 2.5 9.9 1.0 O A:HOH2630 2.9 52.4 1.0 CD A:GLU494 3.0 10.9 1.0 FE6 A:FSO701 3.1 10.6 1.0 FE5 A:FSO701 3.1 10.1 1.0 O10 A:FSO701 3.2 8.0 0.5 FE7 A:FSO701 3.3 8.7 1.0 CG A:GLU494 3.6 9.3 1.0 SG A:CSS406 3.6 7.4 1.0 NZ A:LYS496 4.0 9.6 1.0 OE1 A:GLU494 4.1 10.2 1.0 ND2 A:ASN311 4.2 7.6 1.0 S5 A:FSO701 4.3 7.7 1.0 CE1 A:HIS244 4.3 7.7 1.0 CB A:CSS406 4.4 8.7 1.0 CE A:LYS496 4.4 8.2 1.0 NE2 A:HIS244 4.4 5.8 1.0 SG A:CYS459 4.6 6.7 1.0 CB A:LYS496 4.7 5.6 1.0 SG A:CYS312 4.8 6.8 1.0 CD A:LYS496 4.9 7.9 1.0 CG A:ASN311 5.0 6.1 1.0

S.J.Cooper, C.D.Garner, W.R.Hagen, P.F.Lindley, S.Bailey. Hybrid-Cluster Protein (Hcp) From Desulfovibrio Vulgaris (Hildenborough) at 1.6 A Resolution. Biochemistry V. 39 15044 2000.
ISSN: ISSN 0006-2960
PubMed: 11106482
DOI: 10.1021/BI001483M