Iron in PDB 6gzw: Ferric Dtpa From Streptomyces Lividans

The structure of Ferric Dtpa From Streptomyces Lividans, PDB code: 6gzw was solved by T.Moreno Chicano, J.A.R.Worrall, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.99 / 1.41
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.118, 71.032, 78.089, 90.00, 92.83, 90.00
R / Rfree (%)	18.9 / 21.6

The binding sites of Iron atom in the Ferric Dtpa From Streptomyces Lividans (pdb code 6gzw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferric Dtpa From Streptomyces Lividans, PDB code: 6gzw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferric Dtpa From Streptomyces Lividans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric Dtpa From Streptomyces Lividans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.8 occ:1.00 FE A:HEM501 0.0 10.8 1.0 ND A:HEM501 1.9 10.3 1.0 O A:HOH781 2.0 14.7 1.0 NA A:HEM501 2.0 10.7 1.0 NC A:HEM501 2.1 10.7 1.0 NB A:HEM501 2.1 10.0 1.0 NE2 A:HIS353 2.1 10.7 1.0 C4D A:HEM501 2.9 10.1 1.0 C1D A:HEM501 3.0 10.0 1.0 C4B A:HEM501 3.0 10.2 1.0 C4A A:HEM501 3.0 10.2 1.0 C1A A:HEM501 3.0 10.3 1.0 C1B A:HEM501 3.1 10.1 1.0 C4C A:HEM501 3.1 10.6 1.0 CE1 A:HIS353 3.1 10.4 1.0 C1C A:HEM501 3.1 10.6 1.0 CD2 A:HIS353 3.1 11.2 1.0 CHA A:HEM501 3.4 10.2 1.0 CHC A:HEM501 3.4 10.2 1.0 CHD A:HEM501 3.4 10.6 1.0 CHB A:HEM501 3.4 10.0 1.0 O A:HOH610 3.9 13.7 1.0 ND1 A:HIS353 4.2 10.4 1.0 CG A:HIS353 4.2 11.2 1.0 C2D A:HEM501 4.2 10.2 1.0 C3D A:HEM501 4.2 10.2 1.0 C3A A:HEM501 4.2 10.8 1.0 C2A A:HEM501 4.3 10.6 1.0 C2B A:HEM501 4.3 9.8 1.0 C3C A:HEM501 4.3 11.3 1.0 C2C A:HEM501 4.3 11.0 1.0 NH1 A:ARG369 4.3 15.1 1.0 C3B A:HEM501 4.3 9.8 1.0 CD A:ARG369 4.7 12.7 1.0 CG2 A:THR357 4.8 12.5 1.0 CE1 A:PHE390 4.8 12.0 1.0 CZ A:ARG369 4.9 14.5 1.0

Iron binding site 2 out of 2 in the Ferric Dtpa From Streptomyces Lividans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferric Dtpa From Streptomyces Lividans within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:9.9 occ:1.00 FE B:HEM501 0.0 9.9 1.0 ND B:HEM501 1.9 9.6 1.0 O B:HOH762 2.0 11.5 1.0 NA B:HEM501 2.0 10.1 1.0 NE2 B:HIS353 2.1 10.2 1.0 NB B:HEM501 2.1 9.3 1.0 NC B:HEM501 2.1 9.6 1.0 C4D B:HEM501 3.0 9.6 1.0 C1D B:HEM501 3.0 9.5 1.0 CE1 B:HIS353 3.0 10.3 1.0 C4B B:HEM501 3.0 9.0 1.0 C1A B:HEM501 3.0 9.9 1.0 C4A B:HEM501 3.0 9.6 1.0 C1B B:HEM501 3.1 9.5 1.0 C4C B:HEM501 3.1 9.2 1.0 C1C B:HEM501 3.1 9.6 1.0 CD2 B:HIS353 3.1 10.5 1.0 CHA B:HEM501 3.4 10.1 1.0 CHC B:HEM501 3.4 9.3 1.0 CHD B:HEM501 3.4 9.1 1.0 CHB B:HEM501 3.5 9.2 1.0 O B:HOH691 3.9 12.8 1.0 ND1 B:HIS353 4.1 9.9 1.0 CG B:HIS353 4.2 10.2 1.0 C2D B:HEM501 4.2 9.8 1.0 C3D B:HEM501 4.2 9.9 1.0 C2A B:HEM501 4.2 10.5 1.0 C3A B:HEM501 4.2 10.2 1.0 C2B B:HEM501 4.3 9.0 1.0 C3B B:HEM501 4.3 9.2 1.0 NH1 B:ARG369 4.3 10.7 1.0 C3C B:HEM501 4.3 9.3 1.0 C2C B:HEM501 4.3 9.7 1.0 CD B:ARG369 4.7 10.2 1.0 CZ B:ARG369 4.8 10.6 1.0 CG2 B:THR357 4.9 10.2 1.0 CE1 B:PHE390 4.9 11.9 1.0

A.K.Chaplin, T.M.Chicano, B.V.Hampshire, M.T.Wilson, M.A.Hough, D.A.Svistunenko, J.A.R.Worrall. An Aromatic Dyad Motif in Dye Decolourising Peroxidases Has Implications For Free Radical Formation and Catalysis. Chemistry V. 25 6141 2019.
ISSN: ISSN 0947-6539
PubMed: 30945782
DOI: 10.1002/CHEM.201806290