Iron in PDB 1h98: New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus

The structure of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus, PDB code: 1h98 was solved by S.Macedo-Ribeiro, B.M.Martins, P.J.B.Pereira, G.Buse, R.Huber, T.Soulimane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.0 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	29.700, 42.120, 62.990, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.9

The binding sites of Iron atom in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus (pdb code 1h98). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus, PDB code: 1h98:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.8 occ:1.00 FE1 A:SF4107 0.0 16.8 1.0 SG A:CYS39 2.3 14.2 1.0 S2 A:SF4107 2.3 22.4 1.0 S3 A:SF4107 2.3 22.3 1.0 S4 A:SF4107 2.3 21.1 1.0 FE3 A:SF4107 2.8 16.1 1.0 FE4 A:SF4107 2.8 23.9 1.0 FE2 A:SF4107 2.8 17.3 1.0 CB A:CYS39 3.3 13.8 1.0 CA A:CYS39 3.8 15.5 1.0 N A:ASP41 3.9 17.7 1.0 N A:ILE40 3.9 17.0 1.0 S1 A:SF4107 4.0 22.3 1.0 SG A:CYS24 4.1 16.5 1.0 C A:CYS39 4.2 17.1 1.0 CA A:ASP41 4.4 17.9 1.0 CG2 A:ILE34 4.6 11.1 1.0 CB A:HIS2 4.6 12.2 1.0 N A:CYS42 4.6 18.1 1.0 SG A:CYS45 4.8 14.5 1.0 CG A:HIS2 4.8 13.5 1.0 ND1 A:HIS2 4.8 14.3 1.0 SG A:CYS20 4.9 17.0 1.0 C A:ILE40 4.9 18.0 1.0 CA A:ILE40 5.0 18.2 1.0

Iron binding site 2 out of 7 in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.3 occ:1.00 FE2 A:SF4107 0.0 17.3 1.0 SG A:CYS20 2.3 17.0 1.0 S1 A:SF4107 2.3 22.3 1.0 S3 A:SF4107 2.3 22.3 1.0 S4 A:SF4107 2.3 21.1 1.0 FE4 A:SF4107 2.7 23.9 1.0 FE3 A:SF4107 2.8 16.1 1.0 FE1 A:SF4107 2.8 16.8 1.0 CB A:CYS20 3.2 15.6 1.0 SG A:CYS24 3.8 16.5 1.0 CA A:CYS20 3.8 17.6 1.0 S2 A:SF4107 3.9 22.4 1.0 CD A:PRO21 4.2 20.2 1.0 CG2 A:VAL22 4.3 20.4 1.0 C A:CYS20 4.6 18.4 1.0 CD1 A:ILE25 4.7 12.0 1.0 SG A:CYS42 4.7 21.5 1.0 N A:PRO21 4.7 19.3 1.0 CG1 A:ILE25 4.7 12.2 1.0 SG A:CYS45 4.8 14.5 1.0 SG A:CYS39 4.9 14.2 1.0 CG A:PRO21 4.9 21.8 1.0 CB A:CYS45 5.0 14.4 1.0

Iron binding site 3 out of 7 in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.1 occ:1.00 FE3 A:SF4107 0.0 16.1 1.0 SG A:CYS45 2.2 14.5 1.0 S2 A:SF4107 2.3 22.4 1.0 S1 A:SF4107 2.3 22.3 1.0 S4 A:SF4107 2.3 21.1 1.0 FE4 A:SF4107 2.8 23.9 1.0 FE2 A:SF4107 2.8 17.3 1.0 FE1 A:SF4107 2.8 16.8 1.0 CB A:CYS45 3.1 14.4 1.0 N A:CYS45 3.9 15.1 1.0 S3 A:SF4107 3.9 22.3 1.0 CA A:CYS45 4.2 15.2 1.0 CD1 A:ILE34 4.6 11.1 1.0 CB A:HIS2 4.6 12.2 1.0 CG A:HIS2 4.6 13.5 1.0 N A:GLY43 4.7 17.9 1.0 SG A:CYS39 4.7 14.2 1.0 N A:ALA44 4.8 15.5 1.0 CD2 A:HIS2 4.8 14.1 1.0 CD1 A:ILE25 4.8 12.0 1.0 SG A:CYS42 4.8 21.5 1.0 SG A:CYS20 4.8 17.0 1.0 CA A:GLY43 4.9 15.2 1.0 C A:GLY43 4.9 14.9 1.0

Iron binding site 4 out of 7 in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:23.9 occ:1.00 FE4 A:SF4107 0.0 23.9 1.0 S3 A:SF4107 2.3 22.3 1.0 S1 A:SF4107 2.3 22.3 1.0 SG A:CYS42 2.4 21.5 1.0 S2 A:SF4107 2.4 22.4 1.0 FE2 A:SF4107 2.7 17.3 1.0 FE3 A:SF4107 2.8 16.1 1.0 FE1 A:SF4107 2.8 16.8 1.0 N A:CYS42 3.4 18.1 1.0 CB A:CYS42 3.6 19.3 1.0 N A:GLY43 3.7 17.9 1.0 CA A:CYS42 3.9 18.2 1.0 S4 A:SF4107 3.9 21.1 1.0 C A:CYS42 4.1 18.9 1.0 CD A:PRO21 4.3 20.2 1.0 N A:ALA44 4.3 15.5 1.0 C A:ASP41 4.4 19.1 1.0 N A:ASP41 4.5 17.7 1.0 CG1 A:ILE40 4.5 18.1 1.0 CA A:GLY43 4.6 15.2 1.0 CG A:PRO21 4.6 21.8 1.0 SG A:CYS45 4.7 14.5 1.0 CA A:ASP41 4.7 17.9 1.0 SG A:CYS20 4.7 17.0 1.0 SG A:CYS39 4.7 14.2 1.0 C A:GLY43 4.9 14.9 1.0 N A:CYS45 4.9 15.1 1.0 CB A:ALA44 5.0 16.9 1.0

Iron binding site 5 out of 7 in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:15.6 occ:1.00 FE1 A:F3S108 0.0 15.6 1.0 SG A:CYS16 2.2 13.3 1.0 S2 A:F3S108 2.3 22.2 1.0 S1 A:F3S108 2.3 20.9 1.0 S3 A:F3S108 2.3 20.8 1.0 FE4 A:F3S108 2.7 16.0 1.0 FE3 A:F3S108 2.8 14.7 1.0 CB A:CYS16 3.3 15.0 1.0 N A:GLN14 3.9 17.3 1.0 S4 A:F3S108 3.9 21.2 1.0 N A:CYS16 4.0 14.8 1.0 CA A:GLN14 4.1 15.4 1.0 CA A:CYS16 4.3 15.6 1.0 C A:GLN14 4.5 14.8 1.0 N A:SER15 4.6 14.4 1.0 CD1 A:ILE54 4.6 13.8 1.0 CD1 A:ILE4 4.7 9.4 1.0 SG A:CYS49 4.7 13.7 1.0 SG A:CYS8 4.8 12.8 1.0 CB A:CYS49 4.9 12.8 1.0

Iron binding site 6 out of 7 in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:14.7 occ:1.00 FE3 A:F3S108 0.0 14.7 1.0 SG A:CYS8 2.2 12.8 1.0 S4 A:F3S108 2.3 21.2 1.0 S1 A:F3S108 2.3 20.9 1.0 S3 A:F3S108 2.3 20.8 1.0 FE4 A:F3S108 2.8 16.0 1.0 FE1 A:F3S108 2.8 15.6 1.0 CB A:CYS8 3.2 13.1 1.0 CA A:CYS8 3.8 15.2 1.0 S2 A:F3S108 4.0 22.2 1.0 CA A:LYS12 4.0 15.6 1.0 N A:ASP13 4.2 17.8 1.0 N A:LYS12 4.4 14.3 1.0 C A:LYS12 4.5 17.4 1.0 CG2 A:ILE4 4.5 10.2 1.0 O A:CYS8 4.6 15.9 1.0 C A:CYS8 4.7 15.2 1.0 CB A:PHE32 4.7 10.8 1.0 N A:GLN14 4.7 17.3 1.0 SG A:CYS49 4.8 13.7 1.0 SG A:CYS16 4.8 13.3 1.0 N A:PHE32 4.9 12.6 1.0 N A:CYS8 5.0 14.5 1.0 CD1 A:ILE4 5.0 9.4 1.0

Iron binding site 7 out of 7 in the New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of New Insights Into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:16.0 occ:1.00 FE4 A:F3S108 0.0 16.0 1.0 SG A:CYS49 2.3 13.7 1.0 S4 A:F3S108 2.3 21.2 1.0 S2 A:F3S108 2.3 22.2 1.0 S3 A:F3S108 2.3 20.8 1.0 FE1 A:F3S108 2.7 15.6 1.0 FE3 A:F3S108 2.8 14.7 1.0 CB A:CYS49 3.2 12.8 1.0 CA A:CYS49 3.9 13.0 1.0 S1 A:F3S108 4.0 20.9 1.0 CG2 A:VAL51 4.2 15.3 1.0 CD A:PRO50 4.3 16.6 1.0 CB A:ALA53 4.4 11.3 1.0 CB A:ASP13 4.5 18.3 1.0 C A:CYS49 4.6 15.7 1.0 SG A:CYS16 4.7 13.3 1.0 N A:PRO50 4.8 16.3 1.0 SG A:CYS8 4.8 12.8 1.0 N A:ASP13 4.8 17.8 1.0 CB A:CYS8 5.0 13.1 1.0 N A:GLN14 5.0 17.3 1.0

S.Macedo-Ribeiro, B.M.Martins, P.J.B.Pereira, G.Buse, R.Huber, T.Soulimane. New Insights Into the Thermostability of Bacterial Ferredoxins: High-Resolution Crystal Structure of the Seven-Iron Ferredoxin From Thermus Thermophilus J.Biol.Inorg.Chem. V. 6 663 2001.
ISSN: ISSN 0949-8257
PubMed: 11681700
DOI: 10.1007/S007750100243