Iron in PDB 9cg2: DUF512 Protein From Pyrococcus Furiosus

The structure of DUF512 Protein From Pyrococcus Furiosus, PDB code: 9cg2 was solved by B.Wang, M.I.Radle, O.Peduzzi, A.Solinski, H.L.Knox, J.Cui, R.Maurya, N.Yennawar, S.J.Booker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.24 / 1.96
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.882, 80.454, 98.431, 90, 90, 90
R / Rfree (%)	16.9 / 21.3

The structure of DUF512 Protein From Pyrococcus Furiosus also contains other interesting chemical elements:

Cobalt	(Co)	1 atom
Potassium	(K)	1 atom

The binding sites of Iron atom in the DUF512 Protein From Pyrococcus Furiosus (pdb code 9cg2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the DUF512 Protein From Pyrococcus Furiosus, PDB code: 9cg2:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the DUF512 Protein From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of DUF512 Protein From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:16.7 occ:0.63 FE1 A:SF4404 0.0 16.7 0.6 S3 A:SF4404 2.3 23.7 0.6 S2 A:SF4404 2.3 18.9 0.6 S4 A:SF4404 2.3 16.2 0.6 SG A:CYS43 2.3 19.2 1.0 FE2 A:SF4404 2.7 62.7 0.6 FE4 A:SF4404 2.7 19.3 0.6 FE3 A:SF4404 2.7 20.8 0.6 CB A:CYS43 3.0 16.6 1.0 O A:HOH578 3.6 21.6 1.0 N A:CYS43 3.9 17.4 1.0 S1 A:SF4404 3.9 28.5 0.6 CA A:CYS43 4.1 15.2 1.0 CB A:ASN41 4.2 21.8 1.0 ND2 A:ASN41 4.4 25.6 1.0 SG A:CYS46 4.6 17.9 1.0 CB A:CYS46 4.6 14.7 1.0 SG A:CYS39 4.7 34.4 1.0 CG A:ASN41 4.8 21.0 1.0 CE1 A:PHE45 4.9 15.6 1.0 CE A:MET128 4.9 12.3 1.0

Iron binding site 2 out of 4 in the DUF512 Protein From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of DUF512 Protein From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:62.7 occ:0.63 FE2 A:SF4404 0.0 62.7 0.6 S3 A:SF4404 2.3 23.7 0.6 S4 A:SF4404 2.3 16.2 0.6 S1 A:SF4404 2.3 28.5 0.6 FE1 A:SF4404 2.7 16.7 0.6 FE4 A:SF4404 2.7 19.3 0.6 FE3 A:SF4404 2.7 20.8 0.6 N A:SAH405 3.4 44.7 0.8 S2 A:SF4404 3.9 18.9 0.6 O A:HOH578 3.9 21.6 1.0 CA A:SAH405 4.0 40.5 0.8 C A:SAH405 4.0 38.8 0.8 O A:SAH405 4.0 42.2 0.8 CB A:SAH405 4.1 45.2 0.8 C2' A:SAH405 4.1 31.5 0.8 O2' A:SAH405 4.3 25.8 0.8 OXT A:SAH405 4.6 27.9 0.8 CG A:SAH405 4.7 49.9 0.8 C3' A:SAH405 4.7 38.0 0.8 SG A:CYS39 4.8 34.4 1.0 C8 A:SAH405 4.8 16.9 0.8 SG A:CYS46 4.8 17.9 1.0 SG A:CYS43 4.8 19.2 1.0 C5' A:SAH405 4.9 40.1 0.8

Iron binding site 3 out of 4 in the DUF512 Protein From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of DUF512 Protein From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:20.8 occ:0.63 FE3 A:SF4404 0.0 20.8 0.6 SG A:CYS46 2.2 17.9 1.0 S4 A:SF4404 2.3 16.2 0.6 S2 A:SF4404 2.3 18.9 0.6 S1 A:SF4404 2.3 28.5 0.6 FE1 A:SF4404 2.7 16.7 0.6 FE2 A:SF4404 2.7 62.7 0.6 FE4 A:SF4404 2.8 19.3 0.6 CB A:CYS46 3.2 14.7 1.0 S3 A:SF4404 3.9 23.7 0.6 CA A:CYS46 4.0 16.0 1.0 NH1 A:ARG61 4.6 36.4 1.0 CB A:CYS43 4.6 16.6 1.0 CD1 A:LEU48 4.8 31.9 1.0 SG A:CYS43 4.8 19.2 1.0 C A:CYS46 4.8 17.6 1.0 SG A:CYS39 4.9 34.4 1.0 N A:CYS43 5.0 17.4 1.0

Iron binding site 4 out of 4 in the DUF512 Protein From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of DUF512 Protein From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:19.3 occ:0.63 FE4 A:SF4404 0.0 19.3 0.6 SG A:CYS39 2.3 34.4 1.0 S3 A:SF4404 2.3 23.7 0.6 S1 A:SF4404 2.3 28.5 0.6 S2 A:SF4404 2.3 18.9 0.6 FE1 A:SF4404 2.7 16.7 0.6 FE2 A:SF4404 2.7 62.7 0.6 FE3 A:SF4404 2.8 20.8 0.6 CB A:CYS39 3.3 36.2 1.0 S4 A:SF4404 3.9 16.2 0.6 NH1 A:ARG61 4.0 36.4 1.0 N A:SAH405 4.1 44.7 0.8 ND2 A:ASN41 4.4 25.6 1.0 CB A:ASN41 4.4 21.8 1.0 CZ A:ARG61 4.4 46.9 1.0 O A:ASN41 4.6 32.9 1.0 CA A:CYS39 4.8 34.0 1.0 CB A:ARG61 4.8 45.4 1.0 OXT A:SAH405 4.8 27.9 0.8 SG A:CYS43 4.8 19.2 1.0 SG A:CYS46 4.8 17.9 1.0 NE A:ARG61 4.9 61.4 1.0 C A:ASN41 4.9 28.6 1.0 C A:SAH405 4.9 38.8 0.8 CG A:ASN41 4.9 21.0 1.0 N A:ASN41 4.9 23.2 1.0 NH2 A:ARG61 5.0 28.8 1.0 CD A:ARG61 5.0 56.5 1.0 CA A:ASN41 5.0 27.4 1.0

B.Wang, M.I.Radle, O.Peduzzi, A.Solinski, H.L.Knox, J.Cui, R.Maurya, N.Yennawar, S.J.Booker. DUF512 Protein From Pyrococcus Furiosus To Be Published.