Iron in PDB 4ic1: Crystal Structure of SSO0001

The structure of Crystal Structure of SSO0001, PDB code: 4ic1 was solved by B.Nocek, T.Skarina, S.Lemak, N.Beloglazova, R.Flick, G.Brown, A.Savchenko, A.Joachimiak, A.F.Yakunin, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	86.152, 197.761, 89.410, 90.00, 100.88, 90.00
R / Rfree (%)	20.1 / 24.9

The structure of Crystal Structure of SSO0001 also contains other interesting chemical elements:

Manganese

(Mn)

10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of SSO0001 (pdb code 4ic1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the Crystal Structure of SSO0001, PDB code: 4ic1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:14.4 occ:0.99 FE1 A:SF4302 0.0 14.4 1.0 S2 A:SF4302 2.0 11.2 1.0 S3 A:SF4302 2.0 15.2 1.0 S4 A:SF4302 2.1 12.9 1.0 SG A:CYS197 2.2 17.4 1.0 FE4 A:SF4302 2.9 13.4 1.0 FE2 A:SF4302 2.9 15.8 1.0 FE3 A:SF4302 3.0 17.0 1.0 CB A:CYS197 3.1 9.8 1.0 S1 A:SF4302 3.5 11.8 1.0 N A:LYS200 4.2 14.9 1.0 CD A:ARG34 4.4 19.6 1.0 CA A:LYS200 4.5 14.7 1.0 CA A:CYS197 4.5 9.1 1.0 C A:ALA199 4.6 14.5 1.0 NE A:ARG34 4.6 18.2 1.0 CE2 A:TYR38 4.6 15.2 1.0 CB A:ARG34 4.7 17.5 1.0 CB A:ALA199 4.7 13.2 1.0 SG A:CYS188 4.8 14.1 1.0 SG A:CYS191 4.9 12.4 1.0 N A:ALA199 4.9 14.1 1.0 CB A:LYS200 4.9 14.1 1.0 C A:CYS197 4.9 9.4 1.0 SG A:CYS32 4.9 18.3 1.0 CA A:ALA199 5.0 13.7 1.0

Iron binding site 2 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:15.8 occ:0.99 FE2 A:SF4302 0.0 15.8 1.0 S1 A:SF4302 2.1 11.8 1.0 S3 A:SF4302 2.1 15.2 1.0 S4 A:SF4302 2.1 12.9 1.0 SG A:CYS32 2.3 18.3 1.0 FE1 A:SF4302 2.9 14.4 1.0 FE4 A:SF4302 3.0 13.4 1.0 FE3 A:SF4302 3.0 17.0 1.0 CB A:CYS32 3.2 18.9 1.0 S2 A:SF4302 3.5 11.2 1.0 N A:ARG35 4.1 15.6 1.0 CB A:ARG34 4.2 17.5 1.0 CB A:ARG35 4.2 17.4 1.0 CB A:PRO182 4.2 19.1 1.0 CA A:PRO182 4.3 19.6 1.0 CA A:ARG35 4.6 16.5 1.0 CA A:CYS32 4.6 19.5 1.0 CB A:SER181 4.6 25.4 1.0 C A:ARG34 4.7 16.0 1.0 CA A:ARG34 4.8 16.5 1.0 N A:ARG34 4.8 16.5 1.0 N A:PRO182 4.8 19.6 1.0 SG A:CYS191 4.8 12.4 1.0 SG A:CYS197 4.9 17.4 1.0 SG A:CYS188 4.9 14.1 1.0 C A:CYS32 5.0 17.6 1.0

Iron binding site 3 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:17.0 occ:0.99 FE3 A:SF4302 0.0 17.0 1.0 S4 A:SF4302 2.0 12.9 1.0 S1 A:SF4302 2.1 11.8 1.0 S2 A:SF4302 2.1 11.2 1.0 SG A:CYS188 2.1 14.1 1.0 FE1 A:SF4302 3.0 14.4 1.0 FE2 A:SF4302 3.0 15.8 1.0 FE4 A:SF4302 3.0 13.4 1.0 CB A:CYS188 3.3 12.8 1.0 CA A:CYS188 3.5 14.3 1.0 S3 A:SF4302 3.6 15.2 1.0 N A:CYS188 3.9 15.2 1.0 CB A:PRO182 4.0 19.1 1.0 CA A:LYS200 4.2 14.7 1.0 CG A:PRO182 4.4 18.4 1.0 CD A:PRO182 4.6 18.8 1.0 N A:LYS200 4.7 14.9 1.0 C A:GLU187 4.7 14.9 1.0 CB A:CYS191 4.8 12.7 1.0 O A:ALA199 4.8 15.3 1.0 C A:CYS188 4.8 14.7 1.0 N A:LEU201 4.9 17.5 1.0 CB A:LYS200 4.9 14.1 1.0 CA A:PRO182 4.9 19.6 1.0 SG A:CYS191 4.9 12.4 1.0 SG A:CYS32 4.9 18.3 1.0 N A:PRO182 5.0 19.6 1.0 C A:ALA199 5.0 14.5 1.0 SG A:CYS197 5.0 17.4 1.0

Iron binding site 4 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:13.4 occ:0.99 FE4 A:SF4302 0.0 13.4 1.0 S3 A:SF4302 2.0 15.2 1.0 S2 A:SF4302 2.0 11.2 1.0 S1 A:SF4302 2.1 11.8 1.0 SG A:CYS191 2.1 12.4 1.0 FE1 A:SF4302 2.9 14.4 1.0 CB A:CYS191 2.9 12.7 1.0 FE2 A:SF4302 3.0 15.8 1.0 FE3 A:SF4302 3.0 17.0 1.0 S4 A:SF4302 3.6 12.9 1.0 N A:SER194 4.4 11.1 1.0 CA A:CYS191 4.4 13.1 1.0 CB A:PHE193 4.6 7.8 1.0 CB A:ARG35 4.6 17.4 1.0 C A:PHE193 4.6 10.0 1.0 CA A:CYS188 4.7 14.3 1.0 CA A:SER194 4.7 10.6 1.0 CG A:ARG35 4.7 22.9 1.0 CD A:ARG35 4.8 29.9 1.0 SG A:CYS188 4.9 14.1 1.0 CA A:PHE193 5.0 8.4 1.0 C A:CYS191 5.0 12.2 1.0 SG A:CYS197 5.0 17.4 1.0 N A:PHE193 5.0 9.0 1.0

Iron binding site 5 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:7.7 occ:0.99 FE1 B:SF4302 0.0 7.7 1.0 S2 B:SF4302 2.0 8.8 1.0 S4 B:SF4302 2.1 6.5 1.0 S3 B:SF4302 2.1 6.8 1.0 SG B:CYS197 2.3 11.3 1.0 FE4 B:SF4302 3.0 6.8 1.0 FE3 B:SF4302 3.0 10.8 1.0 FE2 B:SF4302 3.0 7.7 1.0 CB B:CYS197 3.0 2.8 1.0 S1 B:SF4302 3.6 9.0 1.0 N B:LYS200 4.0 7.2 1.0 CA B:LYS200 4.4 7.7 1.0 CA B:CYS197 4.5 3.5 1.0 C B:ALA199 4.5 5.4 1.0 CE2 B:TYR38 4.6 11.5 1.0 NE B:ARG34 4.7 9.3 1.0 CB B:ALA199 4.7 4.6 1.0 CD B:ARG34 4.7 7.5 1.0 CB B:ARG34 4.8 5.2 1.0 SG B:CYS188 4.8 10.6 1.0 N B:ALA199 4.8 6.2 1.0 CB B:LYS200 4.9 7.0 1.0 SG B:CYS32 4.9 9.0 1.0 C B:CYS197 4.9 3.5 1.0 CA B:ALA199 5.0 5.2 1.0 SG B:CYS191 5.0 6.8 1.0

Iron binding site 6 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:7.7 occ:0.99 FE2 B:SF4302 0.0 7.7 1.0 S1 B:SF4302 2.0 9.0 1.0 S3 B:SF4302 2.1 6.8 1.0 S4 B:SF4302 2.1 6.5 1.0 SG B:CYS32 2.2 9.0 1.0 FE4 B:SF4302 2.9 6.8 1.0 FE3 B:SF4302 3.0 10.8 1.0 FE1 B:SF4302 3.0 7.7 1.0 CB B:CYS32 3.2 9.4 1.0 S2 B:SF4302 3.5 8.8 1.0 N B:ARG35 4.0 6.8 1.0 CB B:ARG35 4.2 10.0 1.0 CB B:PRO182 4.2 13.6 1.0 CB B:ARG34 4.2 5.2 1.0 CA B:PRO182 4.4 14.0 1.0 CA B:ARG35 4.5 8.2 1.0 CA B:CYS32 4.6 10.2 1.0 C B:ARG34 4.7 6.2 1.0 CA B:ARG34 4.8 5.6 1.0 CB B:SER181 4.8 18.4 1.0 N B:ARG34 4.8 7.5 1.0 SG B:CYS188 4.9 10.6 1.0 SG B:CYS197 4.9 11.3 1.0 N B:PRO182 4.9 14.4 1.0 SG B:CYS191 4.9 6.8 1.0 OG B:SER181 5.0 17.9 1.0 C B:CYS32 5.0 8.7 1.0

Iron binding site 7 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:10.8 occ:0.99 FE3 B:SF4302 0.0 10.8 1.0 S4 B:SF4302 2.0 6.5 1.0 S1 B:SF4302 2.1 9.0 1.0 S2 B:SF4302 2.1 8.8 1.0 SG B:CYS188 2.1 10.6 1.0 FE2 B:SF4302 3.0 7.7 1.0 FE1 B:SF4302 3.0 7.7 1.0 FE4 B:SF4302 3.0 6.8 1.0 CB B:CYS188 3.2 8.1 1.0 CA B:CYS188 3.4 8.3 1.0 S3 B:SF4302 3.6 6.8 1.0 CB B:PRO182 4.0 13.6 1.0 N B:CYS188 4.0 7.1 1.0 CA B:LYS200 4.2 7.7 1.0 CG B:PRO182 4.3 13.5 1.0 N B:LYS200 4.7 7.2 1.0 CD B:PRO182 4.7 14.5 1.0 C B:GLU187 4.7 6.6 1.0 C B:CYS188 4.8 8.6 1.0 CB B:CYS191 4.8 8.7 1.0 SG B:CYS32 4.9 9.0 1.0 N B:LEU201 4.9 10.9 1.0 CA B:PRO182 4.9 14.0 1.0 O B:ALA199 4.9 5.2 1.0 CB B:LYS200 4.9 7.0 1.0

Iron binding site 8 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:6.8 occ:0.99 FE4 B:SF4302 0.0 6.8 1.0 S3 B:SF4302 2.0 6.8 1.0 S2 B:SF4302 2.0 8.8 1.0 S1 B:SF4302 2.1 9.0 1.0 SG B:CYS191 2.3 6.8 1.0 CB B:CYS191 2.9 8.7 1.0 FE2 B:SF4302 2.9 7.7 1.0 FE1 B:SF4302 3.0 7.7 1.0 FE3 B:SF4302 3.0 10.8 1.0 S4 B:SF4302 3.5 6.5 1.0 CA B:CYS191 4.4 9.1 1.0 N B:SER194 4.5 6.3 1.0 CB B:PHE193 4.5 4.7 1.0 CB B:ARG35 4.6 10.0 1.0 CA B:CYS188 4.7 8.3 1.0 CD B:ARG35 4.7 19.3 1.0 CG B:ARG35 4.8 13.6 1.0 C B:PHE193 4.8 5.5 1.0 CA B:SER194 4.8 6.5 1.0 SG B:CYS188 4.9 10.6 1.0 NE B:ARG35 4.9 24.9 1.0 SG B:CYS32 5.0 9.0 1.0 N B:PHE193 5.0 5.0 1.0

Iron binding site 9 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe302 b:21.9 occ:0.99 FE1 C:SF4302 0.0 21.9 1.0 S2 C:SF4302 2.1 14.0 1.0 S3 C:SF4302 2.1 12.6 1.0 S4 C:SF4302 2.1 15.0 1.0 SG C:CYS197 2.3 21.7 1.0 FE3 C:SF4302 3.0 20.2 1.0 FE4 C:SF4302 3.0 16.0 1.0 CB C:CYS197 3.0 18.9 1.0 FE2 C:SF4302 3.0 18.2 1.0 S1 C:SF4302 3.5 18.5 1.0 N C:LYS200 4.2 19.6 1.0 CA C:LYS200 4.4 19.5 1.0 CB C:ALA199 4.4 17.6 1.0 CA C:CYS197 4.5 19.3 1.0 C C:ALA199 4.6 19.4 1.0 CB C:ARG34 4.6 22.5 1.0 CD C:ARG34 4.7 23.0 1.0 N C:ALA199 4.7 18.1 1.0 NE C:ARG34 4.7 25.1 1.0 CE2 C:TYR38 4.7 22.3 1.0 CB C:LYS200 4.8 18.6 1.0 CA C:ALA199 4.8 18.4 1.0 SG C:CYS32 4.8 17.9 1.0 C C:CYS197 4.9 19.8 1.0

Iron binding site 10 out of 40 in the Crystal Structure of SSO0001


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of SSO0001 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe302 b:18.2 occ:0.99 FE2 C:SF4302 0.0 18.2 1.0 S1 C:SF4302 2.0 18.5 1.0 S4 C:SF4302 2.0 15.0 1.0 S3 C:SF4302 2.1 12.6 1.0 SG C:CYS32 2.1 17.9 1.0 FE4 C:SF4302 3.0 16.0 1.0 CB C:CYS32 3.0 20.8 1.0 FE1 C:SF4302 3.0 21.9 1.0 FE3 C:SF4302 3.0 20.2 1.0 S2 C:SF4302 3.6 14.0 1.0 N C:ARG35 4.0 25.3 1.0 CB C:ARG35 4.1 27.5 1.0 CB C:ARG34 4.2 22.5 1.0 CA C:PRO182 4.3 28.0 1.0 CB C:PRO182 4.4 27.7 1.0 CA C:CYS32 4.4 21.1 1.0 CA C:ARG35 4.6 26.0 1.0 CB C:SER181 4.7 33.1 1.0 N C:ARG34 4.7 21.2 1.0 C C:ARG34 4.8 23.4 1.0 N C:PRO182 4.8 29.2 1.0 CA C:ARG34 4.8 22.1 1.0 C C:CYS32 4.8 21.4 1.0 SG C:CYS191 4.9 20.2 1.0

S.Lemak, N.Beloglazova, B.Nocek, T.Skarina, R.Flick, G.Brown, A.Popovic, A.Joachimiak, A.Savchenko, A.F.Yakunin. Toroidal Structure and Dna Cleavage By the Crispr-Associated [4FE-4S] Cluster Containing CAS4 Nuclease SSO0001 From Sulfolobus Solfataricus. J.Am.Chem.Soc. V. 135 17476 2013.
ISSN: ISSN 0002-7863
PubMed: 24171432
DOI: 10.1021/JA408729B