Iron in PDB 6g2g: Fe-S Assembly CFD1

The structure of Fe-S Assembly CFD1, PDB code: 6g2g was solved by J.H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.88 / 2.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.780, 90.434, 125.408, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 27.9

The binding sites of Iron atom in the Fe-S Assembly CFD1 (pdb code 6g2g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Fe-S Assembly CFD1, PDB code: 6g2g:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Fe-S Assembly CFD1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe-S Assembly CFD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:83.1 occ:0.49 FE1 A:SF4403 0.0 83.1 0.5 SG B:CYS202 2.0 90.1 1.0 S3 A:SF4403 2.1 88.4 0.5 S4 A:SF4403 2.1 82.3 0.5 S2 A:SF4403 2.1 86.2 0.5 FE4 A:SF4403 2.7 77.6 0.5 FE3 A:SF4403 2.7 78.2 0.5 FE2 A:SF4403 3.2 78.0 0.5 CB B:CYS202 3.4 86.3 1.0 O B:CYS202 3.5 84.2 1.0 CB A:ASN201 3.6 88.3 1.0 SG A:CYS199 3.9 85.7 1.0 S1 A:SF4403 3.9 88.5 0.5 C B:CYS202 4.0 83.5 1.0 CA B:CYS202 4.0 83.3 1.0 ND2 A:ASN201 4.0 91.3 1.0 CB B:GLU204 4.0 87.9 1.0 N B:CYS202 4.1 82.6 1.0 SG A:CYS202 4.3 89.5 1.0 CG A:ASN201 4.4 90.3 1.0 CB B:CYS199 4.4 78.5 1.0 N B:GLU204 4.4 84.1 1.0 SG B:CYS199 4.7 78.8 1.0 CA A:ASN201 4.7 87.0 1.0 C A:ASN201 4.8 86.1 1.0 O B:GLU204 4.8 84.0 1.0 CA B:GLU204 4.8 86.3 1.0 CB A:CYS199 4.8 83.2 1.0 N A:CYS202 4.9 91.0 1.0 CG B:GLU204 4.9 90.0 1.0 N B:SER203 4.9 82.7 1.0

Iron binding site 2 out of 4 in the Fe-S Assembly CFD1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe-S Assembly CFD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:78.0 occ:0.49 FE2 A:SF4403 0.0 78.0 0.5 SG A:CYS202 2.0 89.5 1.0 S4 A:SF4403 2.1 82.3 0.5 S3 A:SF4403 2.1 88.4 0.5 S1 A:SF4403 2.1 88.5 0.5 FE3 A:SF4403 2.6 78.2 0.5 FE4 A:SF4403 2.7 77.6 0.5 FE1 A:SF4403 3.2 83.1 0.5 CB A:GLU204 3.3 91.1 1.0 ND2 B:ASN201 3.5 82.3 1.0 O A:CYS202 3.6 88.0 1.0 CB A:CYS202 3.7 90.4 1.0 CG A:GLU204 3.8 92.3 1.0 S2 A:SF4403 3.8 86.2 0.5 SG B:CYS199 3.9 78.8 1.0 CB B:ASN201 4.1 78.8 1.0 CG B:ASN201 4.2 80.2 1.0 C A:CYS202 4.3 87.9 1.0 N A:CYS202 4.3 91.0 1.0 CA A:CYS202 4.3 89.9 1.0 N A:GLU204 4.3 89.1 1.0 CA A:GLU204 4.4 88.8 1.0 CB A:CYS199 4.5 83.2 1.0 SG B:CYS202 4.6 90.1 1.0 N B:CYS202 4.7 82.6 1.0 SG A:CYS199 4.7 85.7 1.0 O A:GLU204 4.7 88.0 1.0 CB B:CYS199 4.9 78.5 1.0 C B:ASN201 4.9 79.2 1.0 CB B:CYS202 5.0 86.3 1.0 C A:ASN201 5.0 86.1 1.0

Iron binding site 3 out of 4 in the Fe-S Assembly CFD1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe-S Assembly CFD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:78.2 occ:0.49 FE3 A:SF4403 0.0 78.2 0.5 S4 A:SF4403 2.1 82.3 0.5 S1 A:SF4403 2.1 88.5 0.5 S2 A:SF4403 2.1 86.2 0.5 SG A:CYS199 2.1 85.7 1.0 CB A:CYS199 2.3 83.2 1.0 FE2 A:SF4403 2.6 78.0 0.5 FE4 A:SF4403 2.6 77.6 0.5 FE1 A:SF4403 2.7 83.1 0.5 S3 A:SF4403 3.3 88.4 0.5 CA A:CYS199 3.4 82.1 1.0 O A:CYS202 3.6 88.0 1.0 C A:CYS199 3.7 82.8 1.0 O A:CYS199 3.7 82.2 1.0 SG A:CYS202 3.7 89.5 1.0 N A:CYS202 3.8 91.0 1.0 CB A:ASN201 4.0 88.3 1.0 N A:ASN201 4.1 86.0 1.0 SG B:CYS199 4.1 78.8 1.0 CB B:CYS199 4.1 78.5 1.0 N A:CYS199 4.2 80.0 1.0 C A:ASN201 4.4 86.1 1.0 CA A:ASN201 4.4 87.0 1.0 N A:PRO200 4.5 82.3 1.0 C A:CYS202 4.5 87.9 1.0 CA A:CYS202 4.6 89.9 1.0 SG B:CYS202 4.7 90.1 1.0 CB A:CYS202 4.8 90.4 1.0 O A:GLU204 5.0 88.0 1.0

Iron binding site 4 out of 4 in the Fe-S Assembly CFD1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fe-S Assembly CFD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:77.6 occ:0.49 FE4 A:SF4403 0.0 77.6 0.5 SG B:CYS199 1.9 78.8 1.0 S3 A:SF4403 2.1 88.4 0.5 S2 A:SF4403 2.1 86.2 0.5 S1 A:SF4403 2.1 88.5 0.5 CB B:CYS199 2.2 78.5 1.0 FE3 A:SF4403 2.6 78.2 0.5 FE2 A:SF4403 2.7 78.0 0.5 FE1 A:SF4403 2.7 83.1 0.5 S4 A:SF4403 3.4 82.3 0.5 O B:CYS202 3.4 84.2 1.0 N B:CYS202 3.5 82.6 1.0 CA B:CYS199 3.6 77.0 1.0 SG A:CYS199 3.9 85.7 1.0 C B:CYS199 4.0 76.2 1.0 SG B:CYS202 4.0 90.1 1.0 CB A:CYS199 4.0 83.2 1.0 CB B:ASN201 4.1 78.8 1.0 N B:ASN201 4.2 76.6 1.0 O B:CYS199 4.2 77.0 1.0 C B:CYS202 4.3 83.5 1.0 C B:ASN201 4.3 79.2 1.0 CA B:CYS202 4.3 83.3 1.0 CA B:ASN201 4.4 77.6 1.0 N B:CYS199 4.4 77.7 1.0 CB B:CYS202 4.5 86.3 1.0 N B:PRO200 4.6 74.4 1.0 SG A:CYS202 4.7 89.5 1.0 ND2 B:ASN201 4.7 82.3 1.0 CG B:ASN201 5.0 80.2 1.0

O.Stehling, J.H.Jeoung, S.A.Freibert, V.D.Paul, S.Banfer, B.Niggemeyer, R.Rosser, H.Dobbek, R.Lill. Function and Crystal Structure of the Dimeric P-Loop Atpase CFD1 Coordinating An Exposed [4FE-4S] Cluster For Transfer to Apoproteins. Proc. Natl. Acad. Sci. V. 115 E9085 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30201724
DOI: 10.1073/PNAS.1807762115