Iron in PDB 1oa0: Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution

The structure of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution, PDB code: 1oa0 was solved by S.Macedo, D.Aragao, E.P.Mitchell, C.V.Romao, M.Y.Liu, C.Frazao, L.M.Saraiva, A.V.Xavier, J.Legall, W.M.A.M.Van Dongen, W.R.Hagen, M.Teixeira, M.A.Carrondo, P.F.Lindley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.49 / 1.25
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.750, 61.990, 72.800, 82.72, 73.74, 87.44
R / Rfree (%)	13.3 / 15

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution (pdb code 1oa0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution, PDB code: 1oa0:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:4.1 occ:1.00 FE1 A:SF4600 0.0 4.1 1.0 S2 A:SF4600 2.3 4.3 1.0 S3 A:SF4600 2.3 4.0 1.0 SG A:CYS6 2.3 4.6 1.0 S4 A:SF4600 2.3 4.2 1.0 FE3 A:SF4600 2.7 4.5 1.0 FE4 A:SF4600 2.7 4.2 1.0 FE2 A:SF4600 2.8 4.3 1.0 CB A:CYS6 3.2 4.6 1.0 S1 A:SF4600 4.0 4.6 1.0 C A:CYS6 4.0 4.7 1.0 CG A:GLN8 4.0 4.6 1.0 NZ A:LYS26 4.1 6.0 1.0 O A:CYS6 4.1 5.4 1.0 CA A:CYS6 4.2 4.6 1.0 CE A:LYS26 4.2 6.2 1.0 N A:GLN8 4.3 4.2 1.0 N A:TYR7 4.4 4.7 1.0 NE2 A:GLN8 4.7 5.0 1.0 SG A:CYS18 4.8 5.3 1.0 N A:CYS9 4.8 4.2 1.0 CA A:TYR7 4.9 4.6 1.0 CD A:GLN8 4.9 5.0 1.0 SG A:CYS9 4.9 4.5 1.0 SG A:CYS24 5.0 4.4 1.0 CB A:GLN8 5.0 4.6 1.0

Iron binding site 2 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:4.3 occ:1.00 FE2 A:SF4600 0.0 4.3 1.0 S4 A:SF4600 2.3 4.2 1.0 SG A:CYS24 2.3 4.4 1.0 S1 A:SF4600 2.4 4.6 1.0 S3 A:SF4600 2.4 4.0 1.0 FE4 A:SF4600 2.7 4.2 1.0 FE3 A:SF4600 2.7 4.5 1.0 FE1 A:SF4600 2.8 4.1 1.0 CB A:CYS24 3.4 4.8 1.0 S2 A:SF4600 3.9 4.3 1.0 N A:CYS24 4.0 5.3 1.0 CA A:GLY22 4.2 6.3 1.0 O A:HOH2284 4.3 5.8 1.0 CA A:CYS24 4.3 5.1 1.0 CE A:LYS26 4.4 6.2 1.0 N A:VAL23 4.5 5.9 1.0 CB A:LYS26 4.6 5.7 1.0 SG A:CYS9 4.6 4.5 1.0 C A:GLY22 4.6 6.0 1.0 SG A:CYS18 4.8 5.3 1.0 CG2 A:THR75 4.9 3.9 1.0 SG A:CYS6 4.9 4.6 1.0 O A:HOH3109 4.9 5.4 1.0 NZ A:LYS26 5.0 6.0 1.0

Iron binding site 3 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:4.5 occ:1.00 FE3 A:SF4600 0.0 4.5 1.0 S1 A:SF4600 2.3 4.6 1.0 SG A:CYS18 2.3 5.3 1.0 S2 A:SF4600 2.3 4.3 1.0 S4 A:SF4600 2.3 4.2 1.0 FE1 A:SF4600 2.7 4.1 1.0 FE4 A:SF4600 2.7 4.2 1.0 FE2 A:SF4600 2.7 4.3 1.0 CB A:CYS18 3.3 5.6 1.0 S3 A:SF4600 4.0 4.0 1.0 O A:CYS6 4.1 5.4 1.0 CA A:GLY22 4.1 6.3 1.0 N A:VAL23 4.1 5.9 1.0 OG1 A:THR12 4.2 5.5 1.0 CA A:THR12 4.2 5.3 1.0 CB A:THR12 4.4 4.7 1.0 C A:GLY22 4.6 6.0 1.0 CA A:CYS18 4.6 5.9 1.0 CB A:CYS6 4.7 4.6 1.0 SG A:CYS9 4.7 4.5 1.0 SG A:CYS6 4.7 4.6 1.0 C A:CYS6 4.7 4.7 1.0 N A:CYS18 4.7 5.8 1.0 SG A:CYS24 4.8 4.4 1.0 N A:THR12 4.9 5.3 1.0 CB A:VAL23 5.0 6.8 1.0

Iron binding site 4 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:4.2 occ:1.00 FE4 A:SF4600 0.0 4.2 1.0 SG A:CYS9 2.3 4.5 1.0 S2 A:SF4600 2.3 4.3 1.0 S1 A:SF4600 2.3 4.6 1.0 S3 A:SF4600 2.4 4.0 1.0 FE2 A:SF4600 2.7 4.3 1.0 FE3 A:SF4600 2.7 4.5 1.0 FE1 A:SF4600 2.7 4.1 1.0 CB A:CYS9 3.3 4.3 1.0 N A:CYS9 3.8 4.2 1.0 S4 A:SF4600 3.9 4.2 1.0 CA A:CYS9 4.0 4.0 1.0 OG1 A:THR75 4.4 4.1 1.0 CG2 A:THR75 4.5 3.9 1.0 C A:CYS9 4.5 4.0 1.0 O A:CYS9 4.6 4.5 1.0 O A:HOH3109 4.6 5.4 1.0 N A:THR12 4.7 5.3 1.0 SG A:CYS24 4.7 4.4 1.0 CA A:THR12 4.8 5.3 1.0 CG A:GLN8 4.8 4.6 1.0 SG A:CYS18 4.9 5.3 1.0 CB A:THR12 4.9 4.7 1.0 C A:GLN8 4.9 4.4 1.0 N A:GLN8 4.9 4.2 1.0 SG A:CYS6 4.9 4.6 1.0 CB A:CYS24 5.0 4.8 1.0

Iron binding site 5 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:3.9 occ:1.00 FE1 A:SF3601 0.0 3.9 1.0 S1 A:SF3601 2.3 7.1 1.0 S2 A:SF3601 2.3 5.1 1.0 S3 A:SF3601 2.3 4.6 1.0 SG A:CYS427 2.4 4.0 1.0 FE3 A:SF3601 2.8 5.5 1.0 FE4 A:SF3601 2.8 5.3 1.0 CB A:CYS427 3.5 4.0 1.0 CD1 A:TRP288 4.0 4.5 1.0 O A:HOH3110 4.0 11.9 1.0 FE7 A:SF3601 4.0 4.2 1.0 CG A:GLU264 4.0 3.5 1.0 N A:CYS427 4.2 3.4 1.0 OE2 A:GLU487 4.4 6.3 1.0 CA A:CYS427 4.4 3.6 1.0 NE1 A:TRP288 4.5 4.4 1.0 CB A:CYS399 4.6 4.4 1.0 CA A:CYS399 4.7 4.2 1.0 CD A:GLU264 4.7 3.3 1.0 SG A:CYS399 4.7 5.1 1.0 OE2 A:GLU264 4.8 4.1 1.0 CG A:TRP288 4.9 4.4 1.0 OG A:SER263 5.0 4.2 1.0

Iron binding site 6 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:5.5 occ:1.00 FE3 A:SF3601 0.0 5.5 1.0 S1 A:SF3601 2.2 7.1 1.0 S3 A:SF3601 2.2 4.6 1.0 SG A:CYS308 2.3 4.2 1.0 FE1 A:SF3601 2.8 3.9 1.0 CB A:CYS308 3.3 3.8 1.0 CD1 A:TRP288 3.4 4.5 1.0 FE4 A:SF3601 3.8 5.3 1.0 CG A:TRP288 3.8 4.4 1.0 NE1 A:TRP288 3.8 4.4 1.0 O A:HOH3110 3.8 11.9 1.0 OD1 A:ASN307 3.9 8.8 1.0 N A:CYS308 4.0 3.9 1.0 CG A:GLU487 4.2 5.8 1.0 CA A:CYS308 4.2 3.6 1.0 OE2 A:GLU487 4.3 6.3 1.0 CB A:TRP288 4.3 4.2 1.0 CE2 A:TRP288 4.4 4.0 1.0 CD2 A:TRP288 4.4 4.0 1.0 SG A:CYS427 4.5 4.0 1.0 S2 A:SF3601 4.6 5.1 1.0 CD A:GLU487 4.6 5.4 1.0 C A:ASN307 4.7 3.7 1.0 CD2 A:TYR486 4.7 3.7 1.0 O A:ASN307 4.9 4.2 1.0 CG A:ASN307 4.9 5.2 1.0

Iron binding site 7 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:5.3 occ:1.00 FE4 A:SF3601 0.0 5.3 1.0 OE2 A:GLU487 2.1 6.3 1.0 S3 A:SF3601 2.3 4.6 1.0 SG A:CYS399 2.4 5.1 1.0 S2 A:SF3601 2.4 5.1 1.0 FE1 A:SF3601 2.8 3.9 1.0 CD A:GLU487 3.1 5.4 1.0 CB A:CYS399 3.3 4.4 1.0 O A:HOH3110 3.4 11.9 1.0 CG A:GLU487 3.5 5.8 1.0 FE3 A:SF3601 3.8 5.5 1.0 CA A:CYS399 4.0 4.2 1.0 FE7 A:SF3601 4.1 4.2 1.0 OE1 A:GLU487 4.2 5.8 1.0 SG A:CYS427 4.4 4.0 1.0 S1 A:SF3601 4.4 7.1 1.0 N A:CYS399 4.7 4.3 1.0 N A:GLU487 4.7 4.6 1.0 CB A:GLU487 4.8 5.4 1.0

Iron binding site 8 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:4.2 occ:1.00 FE7 A:SF3601 0.0 4.2 1.0 OE2 A:GLU264 2.1 4.1 1.0 NE2 A:HIS240 2.2 4.6 1.0 SG A:CYS452 2.4 4.3 1.0 S2 A:SF3601 2.4 5.1 1.0 CD A:GLU264 3.0 3.3 1.0 CE1 A:HIS240 3.1 3.5 1.0 O A:HOH3110 3.2 11.9 1.0 CD2 A:HIS240 3.2 3.9 1.0 CG A:GLU264 3.3 3.5 1.0 CB A:CYS452 3.3 4.0 1.0 N A:CYS452 3.9 3.8 1.0 FE1 A:SF3601 4.0 3.9 1.0 FE4 A:SF3601 4.1 5.3 1.0 OE1 A:GLU264 4.2 4.4 1.0 CB A:GLU264 4.2 3.3 1.0 CA A:CYS452 4.2 3.9 1.0 ND1 A:HIS240 4.3 3.8 1.0 CG A:HIS240 4.3 4.2 1.0 S1 A:SF3601 4.4 7.1 1.0 OE2 A:GLU487 4.5 6.3 1.0 NZ A:LYS489 4.6 5.8 1.0 CA A:GLY426 4.8 3.6 1.0 CD A:LYS489 4.8 6.0 1.0

Iron binding site 9 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1544 b:3.7 occ:1.00 FE1 B:SF41544 0.0 3.7 1.0 S4 B:SF41544 2.3 3.4 1.0 SG B:CYS6 2.3 4.2 1.0 S2 B:SF41544 2.3 3.7 1.0 S3 B:SF41544 2.3 3.7 1.0 FE4 B:SF41544 2.7 3.6 1.0 FE3 B:SF41544 2.7 3.5 1.0 FE2 B:SF41544 2.8 3.7 1.0 CB B:CYS6 3.2 4.5 1.0 S1 B:SF41544 4.0 3.9 1.0 C B:CYS6 4.0 3.9 1.0 CG B:GLN8 4.0 3.8 1.0 NZ B:LYS26 4.1 5.5 1.0 O B:CYS6 4.2 4.7 1.0 CA B:CYS6 4.2 4.0 1.0 CE B:LYS26 4.3 5.6 1.0 N B:GLN8 4.3 3.6 1.0 N B:TYR7 4.4 3.6 1.0 NE2 B:GLN8 4.6 4.9 1.0 SG B:CYS18 4.8 3.9 1.0 N B:CYS9 4.9 3.5 1.0 CD B:GLN8 4.9 4.8 1.0 CA B:TYR7 4.9 3.7 1.0 SG B:CYS24 4.9 4.1 1.0 SG B:CYS9 4.9 3.6 1.0 O B:HOH2124 5.0 4.8 1.0

Iron binding site 10 out of 16 in the Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Reduced Hybrid Cluster Protein From Desulfovibrio Desulfuricans X-Ray Structure at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1544 b:3.7 occ:1.00 FE2 B:SF41544 0.0 3.7 1.0 S3 B:SF41544 2.3 3.7 1.0 SG B:CYS24 2.3 4.1 1.0 S1 B:SF41544 2.4 3.9 1.0 S4 B:SF41544 2.4 3.4 1.0 FE3 B:SF41544 2.7 3.5 1.0 FE4 B:SF41544 2.8 3.6 1.0 FE1 B:SF41544 2.8 3.7 1.0 CB B:CYS24 3.3 4.3 1.0 N B:CYS24 3.9 4.9 1.0 S2 B:SF41544 4.0 3.7 1.0 CA B:CYS24 4.3 4.7 1.0 CA B:GLY22 4.3 5.4 1.0 O B:HOH2273 4.3 5.2 1.0 CE B:LYS26 4.4 5.6 1.0 N B:VAL23 4.5 5.4 1.0 CB B:LYS26 4.6 5.7 1.0 SG B:CYS9 4.6 3.6 1.0 C B:GLY22 4.7 5.1 1.0 SG B:CYS18 4.8 3.9 1.0 CG2 B:THR75 4.8 3.7 1.0 SG B:CYS6 4.9 4.2 1.0 NZ B:LYS26 4.9 5.5 1.0 O B:HOH3009 5.0 4.5 1.0

D.Aragao, S.Macedo, E.P.Mitchell, C.V.Romao, M.Y.Liu, C.Frazao, L.M.Saraiva, A.V.Xavier, J.Legall, W.M.A.M.Van Dongen, W.R.Hagen, M.Teixeira, M.A.Carrondo, P.Lindley. Reduced Hybrid Cluster Proteins (Hcp) From Desulfovibrio Desulfuricans Atcc 27774 and Desulfovibrio Vulgaris (Hildenborough): X-Ray Structures at High Resolution Using Synchrotron Radiation. J. Biol. Inorg. Chem. V. 8 540 2003.
ISSN: ISSN 0949-8257
PubMed: 12764602
DOI: 10.1007/S00775-003-0443-X