Iron in PDB 1t47: Structure of FE2-Hppd Bound to Ntbc

All present enzymatic activity of Structure of FE2-Hppd Bound to Ntbc:
1.13.11.27;

The structure of Structure of FE2-Hppd Bound to Ntbc, PDB code: 1t47 was solved by J.Brownlee, K.Johnson-Winters, D.H.T.Harrison, G.R.Moran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.288, 162.045, 56.150, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 23.8

The structure of Structure of FE2-Hppd Bound to Ntbc also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Iron atom in the Structure of FE2-Hppd Bound to Ntbc (pdb code 1t47). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of FE2-Hppd Bound to Ntbc, PDB code: 1t47:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe431 b:34.7 occ:1.00 O7 A:NTD551 2.0 31.3 1.0 O5 A:NTD551 2.0 34.8 1.0 OE1 A:GLU349 2.1 15.8 1.0 NE2 A:HIS187 2.3 8.5 1.0 NE2 A:HIS270 2.6 13.9 1.0 CE1 A:HIS187 3.0 4.3 1.0 C7 A:NTD551 3.1 30.0 1.0 C1 A:NTD551 3.1 33.3 1.0 CD A:GLU349 3.1 12.9 1.0 CE1 A:HIS270 3.4 13.3 1.0 CD2 A:HIS187 3.5 8.2 1.0 C6 A:NTD551 3.5 34.6 1.0 OE2 A:GLU349 3.5 23.5 1.0 CD2 A:HIS270 3.7 14.8 1.0 ON2 A:NTD551 4.2 40.7 1.0 ND1 A:HIS187 4.2 13.1 1.0 CE1 A:PHE336 4.3 7.7 1.0 C8 A:NTD551 4.4 29.3 1.0 C4 A:NTD551 4.4 32.1 1.0 CG A:GLU349 4.4 14.5 1.0 CB A:ALA272 4.4 11.8 1.0 O A:PHE359 4.5 24.5 1.0 CG A:HIS187 4.5 10.3 1.0 CG2 A:VAL189 4.5 12.0 1.0 CD2 A:PHE359 4.5 21.3 1.0 ND1 A:HIS270 4.6 14.2 1.0 CB A:GLU349 4.7 10.2 1.0 CZ A:PHE336 4.7 8.8 1.0 CB A:PHE359 4.7 19.9 1.0 CG A:HIS270 4.8 13.1 1.0 C5 A:NTD551 4.9 33.5 1.0

Iron binding site 2 out of 2 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe430 b:32.4 occ:1.00 O5 B:NTD550 1.9 21.2 1.0 O7 B:NTD550 2.0 23.8 1.0 OE1 B:GLU349 2.3 23.1 1.0 NE2 B:HIS187 2.3 13.9 1.0 O B:HOH874 2.4 47.3 0.5 NE2 B:HIS270 2.7 13.1 1.0 C1 B:NTD550 3.0 20.5 1.0 C7 B:NTD550 3.1 20.9 1.0 CD B:GLU349 3.2 12.9 1.0 CD2 B:HIS187 3.2 7.5 1.0 CE1 B:HIS187 3.2 8.9 1.0 OE2 B:GLU349 3.4 16.6 1.0 CE1 B:HIS270 3.5 12.6 1.0 C6 B:NTD550 3.5 20.9 1.0 CD2 B:HIS270 3.7 16.2 1.0 O B:PHE359 4.2 21.9 1.0 ON2 B:NTD550 4.3 39.2 1.0 C4 B:NTD550 4.3 26.3 1.0 ND1 B:HIS187 4.3 11.2 1.0 C8 B:NTD550 4.4 22.3 1.0 CG B:HIS187 4.4 11.8 1.0 CD2 B:PHE359 4.4 9.8 1.0 CE1 B:PHE336 4.5 12.5 1.0 CB B:PHE359 4.5 15.4 1.0 CG2 B:VAL189 4.5 6.4 1.0 CB B:ALA272 4.5 6.1 1.0 CG B:GLU349 4.5 13.5 1.0 ND1 B:HIS270 4.7 18.3 1.0 CG B:HIS270 4.8 16.8 1.0 CB B:GLU349 4.8 9.6 1.0 C5 B:NTD550 4.9 21.5 1.0 CG B:PHE359 5.0 12.6 1.0 CZ B:PHE336 5.0 14.1 1.0

J.Brownlee, K.Johnson-Winters, D.H.T.Harrison, G.R.Moran. Structure of the Ferrous Form of (4-Hydroxyphenyl)Pyruvate Dioxygenase From Streptomyces Avermitilis in Complex with the Therapeutic Herbicide, Ntbc Biochemistry V. 43 6370 2004.
ISSN: ISSN 0006-2960
PubMed: 15157070
DOI: 10.1021/BI049317S