Iron in PDB 1l5j: Crystal Structure of E. Coli Aconitase B.

All present enzymatic activity of Crystal Structure of E. Coli Aconitase B.:
4.2.1.3;

The structure of Crystal Structure of E. Coli Aconitase B., PDB code: 1l5j was solved by C.H.Williams, T.J.Stillman, V.V.Barynin, S.E.Sedelnikova, Y.Tang, J.Green, J.R.Guest, P.J.Artymiuk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	138.970, 169.630, 113.380, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 20.3

The binding sites of Iron atom in the Crystal Structure of E. Coli Aconitase B. (pdb code 1l5j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of E. Coli Aconitase B., PDB code: 1l5j:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Structure of E. Coli Aconitase B.


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 E. Coli Aconitase B. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe868 b:26.4 occ:1.00 FE1 A:F3S868 0.0 26.4 1.0 S1 A:F3S868 2.2 29.8 1.0 S3 A:F3S868 2.2 19.7 1.0 S2 A:F3S868 2.2 30.6 1.0 SG A:CYS772 2.2 27.8 1.0 FE4 A:F3S868 2.6 26.9 1.0 FE3 A:F3S868 2.6 24.4 1.0 CB A:CYS772 3.2 20.5 1.0 OG A:SER709 3.7 53.6 1.0 S4 A:F3S868 3.7 30.9 1.0 O A:HOH874 4.0 18.9 1.0 OG1 A:THR790 4.3 25.2 1.0 CA A:CYS772 4.5 20.9 1.0 CB A:CYS769 4.5 18.3 1.0 SG A:CYS710 4.5 29.1 1.0 C A:CYS772 4.6 38.2 1.0 SG A:CYS769 4.6 25.9 1.0 O A:CYS772 4.8 22.6 1.0 OG2 A:TRA866 4.8 31.5 1.0 NH1 A:ARG796 4.9 22.1 1.0 N A:MET773 4.9 26.1 1.0 CB A:SER709 5.0 21.8 1.0 N A:CYS710 5.0 21.0 1.0

Iron binding site 2 out of 6 in the Crystal Structure of E. Coli Aconitase B.


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 E. Coli Aconitase B. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe868 b:24.4 occ:1.00 FE3 A:F3S868 0.0 24.4 1.0 S1 A:F3S868 2.2 29.8 1.0 S3 A:F3S868 2.2 19.7 1.0 S4 A:F3S868 2.2 30.9 1.0 SG A:CYS769 2.2 25.9 1.0 FE1 A:F3S868 2.6 26.4 1.0 FE4 A:F3S868 2.7 26.9 1.0 CB A:CYS769 3.1 18.3 1.0 NE2 A:HIS444 3.5 29.4 1.0 S2 A:F3S868 3.8 30.6 1.0 CE1 A:HIS444 3.9 26.4 1.0 CA A:CYS769 3.9 20.6 1.0 O A:HOH874 4.1 18.9 1.0 CG1 A:VAL478 4.2 20.2 1.0 CD2 A:HIS444 4.3 15.3 1.0 SG A:CYS772 4.6 27.8 1.0 ND1 A:HIS444 4.7 27.2 1.0 N A:CYS769 4.7 11.3 1.0 CB A:CYS772 4.8 20.5 1.0 SG A:CYS710 4.8 29.1 1.0 CG2 A:VAL478 4.9 14.9 1.0 CG A:HIS444 5.0 28.3 1.0

Iron binding site 3 out of 6 in the Crystal Structure of E. Coli Aconitase B.


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 E. Coli Aconitase B. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe868 b:26.9 occ:1.00 FE4 A:F3S868 0.0 26.9 1.0 S2 A:F3S868 2.2 30.6 1.0 S4 A:F3S868 2.2 30.9 1.0 S3 A:F3S868 2.2 19.7 1.0 SG A:CYS710 2.3 29.1 1.0 FE1 A:F3S868 2.6 26.4 1.0 FE3 A:F3S868 2.7 24.4 1.0 CB A:CYS710 3.4 20.2 1.0 S1 A:F3S868 3.8 29.8 1.0 N A:CYS710 3.8 21.0 1.0 O A:HOH874 3.9 18.9 1.0 OG A:SER709 3.9 53.6 1.0 CG1 A:VAL478 4.1 20.2 1.0 CA A:CYS710 4.2 20.0 1.0 CD2 A:HIS480 4.3 23.7 1.0 SG A:CYS772 4.6 27.8 1.0 SG A:CYS769 4.7 25.9 1.0 NE2 A:HIS480 4.9 22.9 1.0 CB A:HIS499 4.9 12.3 1.0 C A:SER709 5.0 37.7 1.0 ND1 A:HIS499 5.0 26.2 1.0

Iron binding site 4 out of 6 in the Crystal Structure of E. Coli Aconitase B.


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 E. Coli Aconitase B. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe869 b:26.5 occ:1.00 FE1 B:F3S869 0.0 26.5 1.0 S1 B:F3S869 2.2 30.4 1.0 S2 B:F3S869 2.2 26.1 1.0 S3 B:F3S869 2.2 21.6 1.0 SG B:CYS710 2.3 27.1 1.0 FE3 B:F3S869 2.6 28.2 1.0 FE4 B:F3S869 2.7 25.3 1.0 CB B:CYS710 3.3 23.9 1.0 N B:CYS710 3.8 23.0 1.0 S4 B:F3S869 3.9 30.9 1.0 O B:HOH922 4.1 33.4 1.0 CA B:CYS710 4.1 19.1 1.0 CG1 B:VAL478 4.2 20.1 1.0 CD2 B:HIS480 4.4 18.9 1.0 SG B:CYS772 4.6 35.7 1.0 CB B:SER709 4.7 21.8 1.0 SG B:CYS769 4.8 27.4 1.0 CB B:HIS499 4.9 14.4 1.0 C B:SER709 4.9 40.0 1.0

Iron binding site 5 out of 6 in the Crystal Structure of E. Coli Aconitase B.


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 E. Coli Aconitase B. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe869 b:28.2 occ:1.00 FE3 B:F3S869 0.0 28.2 1.0 S4 B:F3S869 2.2 30.9 1.0 S1 B:F3S869 2.2 30.4 1.0 S3 B:F3S869 2.2 21.6 1.0 SG B:CYS772 2.3 35.7 1.0 FE1 B:F3S869 2.6 26.5 1.0 FE4 B:F3S869 2.6 25.3 1.0 CB B:CYS772 3.2 41.2 1.0 S2 B:F3S869 3.7 26.1 1.0 O B:HOH922 4.1 33.4 1.0 OG1 B:THR790 4.2 26.1 1.0 CB B:SER709 4.4 21.8 1.0 CA B:CYS772 4.5 19.0 1.0 CB B:CYS769 4.5 15.2 1.0 SG B:CYS769 4.6 27.4 1.0 C B:CYS772 4.6 33.5 1.0 SG B:CYS710 4.6 27.1 1.0 O B:CYS772 4.8 32.3 1.0 OG2 B:TRA867 4.9 37.2 1.0 NH1 B:ARG796 5.0 38.7 1.0 N B:CYS710 5.0 23.0 1.0

Iron binding site 6 out of 6 in the Crystal Structure of E. Coli Aconitase B.


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 E. Coli Aconitase B. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe869 b:25.3 occ:1.00 FE4 B:F3S869 0.0 25.3 1.0 S2 B:F3S869 2.2 26.1 1.0 S4 B:F3S869 2.2 30.9 1.0 S3 B:F3S869 2.2 21.6 1.0 SG B:CYS769 2.3 27.4 1.0 FE3 B:F3S869 2.6 28.2 1.0 FE1 B:F3S869 2.7 26.5 1.0 CB B:CYS769 3.1 15.2 1.0 NE2 B:HIS444 3.5 29.1 1.0 S1 B:F3S869 3.8 30.4 1.0 CE1 B:HIS444 3.9 31.4 1.0 CA B:CYS769 4.0 17.6 1.0 CD2 B:HIS444 4.2 16.0 1.0 O B:HOH922 4.2 33.4 1.0 CG1 B:VAL478 4.4 20.1 1.0 SG B:CYS772 4.7 35.7 1.0 ND1 B:HIS444 4.7 24.7 1.0 CB B:CYS772 4.7 41.2 1.0 N B:CYS769 4.8 24.1 1.0 CG B:HIS444 4.9 24.4 1.0 SG B:CYS710 4.9 27.1 1.0 CG2 B:VAL478 4.9 15.7 1.0

C.H.Williams, T.J.Stillman, V.V.Barynin, S.E.Sedelnikova, Y.Tang, J.Green, J.R.Guest, P.J.Artymiuk. E. Coli Aconitase B Structure Reveals A Heat-Like Domain with Implications For Protein-Protein Recognition. Nat.Struct.Biol. V. 9 447 2002.
ISSN: ISSN 1072-8368
PubMed: 11992126
DOI: 10.1038/NSB801