Iron in PDB 9cg1: DUF512 Protein From Clostridium Sporogenes

The structure of DUF512 Protein From Clostridium Sporogenes, PDB code: 9cg1 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)	46.81 / 1.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.67, 59.302, 81.059, 90, 109.82, 90
R / Rfree (%)	15.8 / 19.8

The structure of DUF512 Protein From Clostridium Sporogenes also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Iron atom in the DUF512 Protein From Clostridium Sporogenes (pdb code 9cg1). 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 Clostridium Sporogenes, PDB code: 9cg1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the DUF512 Protein From Clostridium Sporogenes


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 Clostridium Sporogenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:10.4 occ:1.00 FE1 A:SF4505 0.0 10.4 1.0 OD2 A:ASP112 2.1 10.3 1.0 S3 A:SF4505 2.3 9.7 1.0 S4 A:SF4505 2.3 9.1 1.0 S2 A:SF4505 2.3 9.4 1.0 FE3 A:SF4505 2.6 10.1 1.0 FE4 A:SF4505 2.7 10.3 1.0 FE2 A:SF4505 2.7 10.2 1.0 CG A:ASP112 2.8 14.1 1.0 OD1 A:ASP112 2.9 12.4 1.0 S1 A:SF4505 3.8 9.3 1.0 CE1 A:PHE95 3.9 20.7 1.0 O A:HOH919 4.2 13.6 1.0 CB A:ASP112 4.3 15.8 1.0 O3' A:SA8507 4.3 19.9 0.5 O3' A:SA8507 4.3 19.9 0.5 O A:HOH693 4.5 16.6 1.0 O A:HOH854 4.7 12.5 1.0 O A:HOH659 4.7 13.6 1.0 SG A:CYS87 4.7 10.6 1.0 C3' A:SA8507 4.7 21.0 0.5 C3' A:SA8507 4.7 21.0 0.5 CD1 A:PHE95 4.7 16.7 1.0 CZ A:PHE95 4.8 22.8 1.0 SG A:CYS91 4.8 10.2 1.0 SG A:CYS94 4.9 10.2 1.0 CB A:CYS87 4.9 9.7 1.0 C2' A:SA8507 5.0 20.6 0.5 C2' A:SA8507 5.0 20.6 0.5

Iron binding site 2 out of 4 in the DUF512 Protein From Clostridium Sporogenes


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 Clostridium Sporogenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:10.2 occ:1.00 FE2 A:SF4505 0.0 10.2 1.0 SG A:CYS91 2.3 10.2 1.0 S3 A:SF4505 2.3 9.7 1.0 S4 A:SF4505 2.3 9.1 1.0 S1 A:SF4505 2.3 9.3 1.0 FE4 A:SF4505 2.7 10.3 1.0 FE1 A:SF4505 2.7 10.4 1.0 FE3 A:SF4505 2.8 10.1 1.0 CB A:CYS91 3.2 11.1 1.0 O A:HOH854 3.9 12.5 1.0 S2 A:SF4505 3.9 9.4 1.0 N A:CYS91 3.9 11.2 1.0 CB A:ASN89 4.0 9.2 1.0 CA A:CYS91 4.2 11.0 1.0 CB A:CYS94 4.5 11.2 1.0 ND2 A:ASN89 4.6 9.7 1.0 SG A:CYS94 4.6 10.2 1.0 OD2 A:ASP112 4.7 10.3 1.0 SG A:CYS87 4.7 10.6 1.0 CG A:ASN89 4.8 10.8 1.0 CA A:CYS94 4.9 9.4 1.0

Iron binding site 3 out of 4 in the DUF512 Protein From Clostridium Sporogenes


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 Clostridium Sporogenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:10.1 occ:1.00 FE3 A:SF4505 0.0 10.1 1.0 SG A:CYS87 2.3 10.6 1.0 S2 A:SF4505 2.3 9.4 1.0 S1 A:SF4505 2.3 9.3 1.0 S4 A:SF4505 2.3 9.1 1.0 FE1 A:SF4505 2.6 10.4 1.0 FE4 A:SF4505 2.7 10.3 1.0 FE2 A:SF4505 2.8 10.2 1.0 CB A:CYS87 3.3 9.7 1.0 CE A:LYS110 3.7 18.8 1.0 OD1 A:ASP112 3.8 12.4 1.0 S3 A:SF4505 3.9 9.7 1.0 CB A:ASN89 4.2 9.2 1.0 OD2 A:ASP112 4.4 10.3 1.0 O A:ASN89 4.4 9.9 1.0 NZ A:LYS110 4.5 23.9 1.0 CG A:ASP112 4.5 14.1 1.0 CB A:LYS110 4.6 14.2 1.0 C A:ASN89 4.6 13.0 1.0 ND2 A:ASN89 4.7 9.7 1.0 N A:ASN89 4.7 11.3 1.0 CA A:CYS87 4.7 10.0 1.0 CA A:ASN89 4.7 11.2 1.0 CG A:LYS110 4.8 16.6 1.0 SG A:CYS91 4.8 10.2 1.0 SG A:CYS94 4.8 10.2 1.0 CD A:LYS110 4.9 20.6 1.0 CG A:ASN89 5.0 10.8 1.0

Iron binding site 4 out of 4 in the DUF512 Protein From Clostridium Sporogenes


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 Clostridium Sporogenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:10.3 occ:1.00 FE4 A:SF4505 0.0 10.3 1.0 S2 A:SF4505 2.3 9.4 1.0 S1 A:SF4505 2.3 9.3 1.0 SG A:CYS94 2.3 10.2 1.0 S3 A:SF4505 2.3 9.7 1.0 FE2 A:SF4505 2.7 10.2 1.0 FE1 A:SF4505 2.7 10.4 1.0 FE3 A:SF4505 2.7 10.1 1.0 CB A:CYS94 3.1 11.2 1.0 CA A:CYS94 3.8 9.4 1.0 S4 A:SF4505 3.9 9.1 1.0 CE1 A:PHE95 4.3 20.7 1.0 O A:HOH802 4.3 28.3 1.0 CE A:LYS110 4.3 18.8 1.0 CD1 A:PHE95 4.4 16.7 1.0 C A:CYS94 4.6 11.3 1.0 OD2 A:ASP112 4.6 10.3 1.0 N A:PHE95 4.7 9.3 1.0 SG A:CYS91 4.7 10.2 1.0 CG1 A:ILE96 4.7 19.1 1.0 CB A:CYS91 4.7 11.1 1.0 O A:HOH645 4.7 30.8 1.0 SG A:CYS87 4.8 10.6 1.0 N A:CYS91 4.9 11.2 1.0 CG A:LYS110 5.0 16.6 1.0 NZ A:LYS110 5.0 23.9 1.0 N A:ILE96 5.0 11.1 1.0 N A:CYS94 5.0 11.0 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 Clostridium Sporogenes To Be Published.