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

Enzymatic activity of Structure of FE2-Hppd Bound to Ntbc

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

Protein crystallography data

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

Other elements in 1t47:

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

Fluorine (F) 6 atoms

Iron Binding Sites:

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 1t47

Go back to Iron Binding Sites List in 1t47
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 1t47

Go back to Iron Binding Sites List in 1t47
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

Reference:

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
Page generated: Sat Aug 3 15:09:08 2024

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