Iron in PDB 3k3u: The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata

The structure of The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata, PDB code: 3k3u was solved by V.De Serrano, M.F.Davis, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.29 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.766, 67.321, 69.462, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.1

The binding sites of Iron atom in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata (pdb code 3k3u). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata, PDB code: 3k3u:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe139 b:8.7 occ:1.00 FE A:HEM139 0.0 8.7 1.0 NB A:HEM139 2.1 7.8 1.0 NC A:HEM139 2.1 9.7 1.0 NA A:HEM139 2.1 9.8 1.0 ND A:HEM139 2.1 7.7 1.0 NE2 A:HIS89 2.2 8.0 1.0 NE1 A:TRP59 2.6 7.9 0.2 C4B A:HEM139 3.1 7.8 1.0 C1C A:HEM139 3.1 7.7 1.0 CE1 A:HIS89 3.1 9.6 1.0 C1B A:HEM139 3.1 7.0 1.0 C4D A:HEM139 3.1 9.6 1.0 C1A A:HEM139 3.1 8.8 1.0 C4C A:HEM139 3.1 9.9 1.0 C4A A:HEM139 3.1 6.8 1.0 C1D A:HEM139 3.1 10.4 1.0 CD2 A:HIS89 3.2 8.6 1.0 CE2 A:TRP59 3.2 9.7 0.2 CD1 A:TRP59 3.3 9.8 0.2 CHA A:HEM139 3.4 10.4 1.0 CHC A:HEM139 3.4 7.5 1.0 CHB A:HEM139 3.5 6.8 1.0 CHD A:HEM139 3.5 8.7 1.0 CH2 A:TRP59 3.7 16.1 0.3 CZ2 A:TRP59 3.7 9.8 0.2 CZ2 A:TRP59 3.7 15.8 0.3 CZ3 A:TRP59 3.8 16.3 0.3 CE2 A:TRP59 3.8 15.2 0.3 CE3 A:TRP59 3.9 14.3 0.3 CD2 A:TRP59 3.9 14.3 0.3 CD2 A:TRP59 4.2 9.0 0.2 CG A:TRP59 4.2 8.7 0.2 CD2 A:TRP59 4.2 11.5 0.5 ND1 A:HIS89 4.2 9.2 1.0 CE3 A:TRP59 4.3 14.3 0.5 C3B A:HEM139 4.3 7.2 1.0 CG A:HIS89 4.3 9.8 1.0 C2B A:HEM139 4.3 7.4 1.0 C3C A:HEM139 4.3 9.9 1.0 C2C A:HEM139 4.3 9.4 1.0 C3A A:HEM139 4.3 9.2 1.0 C2D A:HEM139 4.3 11.1 1.0 C3D A:HEM139 4.3 12.2 1.0 C2A A:HEM139 4.3 9.3 1.0 CG A:TRP59 4.5 8.6 0.5 NE1 A:TRP59 4.5 14.4 0.3 CE2 A:TRP59 4.6 12.8 0.5 CE A:MET86 4.7 6.5 0.7 CG A:TRP59 4.7 12.4 0.3 CZ3 A:TRP59 4.7 14.8 0.5 CH2 A:TRP59 4.9 9.7 0.2 CB A:TRP59 4.9 6.3 0.5 CD1 A:TRP59 4.9 5.5 0.5 CD1 A:TRP59 5.0 14.1 0.3 CZ2 A:TRP59 5.0 15.2 0.5 NE1 A:TRP59 5.0 13.0 0.5

Iron binding site 2 out of 2 in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe139 b:8.7 occ:1.00 FE B:HEM139 0.0 8.7 1.0 NC B:HEM139 2.0 9.0 1.0 NB B:HEM139 2.0 7.8 1.0 NA B:HEM139 2.1 9.8 1.0 ND B:HEM139 2.1 8.7 1.0 NE2 B:HIS89 2.2 8.3 1.0 C1C B:HEM139 3.0 7.5 1.0 C4C B:HEM139 3.0 8.5 1.0 C4B B:HEM139 3.0 8.3 1.0 C1B B:HEM139 3.1 7.0 1.0 C1D B:HEM139 3.1 9.4 1.0 C4A B:HEM139 3.1 8.0 1.0 CE1 B:HIS89 3.1 8.8 1.0 C1A B:HEM139 3.1 9.2 1.0 C4D B:HEM139 3.1 10.1 1.0 CD2 B:HIS89 3.2 8.6 1.0 CHD B:HEM139 3.4 7.4 1.0 CHC B:HEM139 3.4 7.4 1.0 CHB B:HEM139 3.4 7.0 1.0 CE2 B:TRP59 3.5 19.5 0.4 CHA B:HEM139 3.5 9.3 1.0 CZ2 B:TRP59 3.5 20.8 0.4 NE1 B:TRP59 3.7 19.5 0.4 CE3 B:TRP59 4.1 8.6 0.2 CH2 B:TRP59 4.1 21.1 0.4 CD2 B:TRP59 4.1 18.4 0.4 CD2 B:TRP59 4.1 8.5 0.2 ND1 B:HIS89 4.2 9.3 1.0 CZ3 B:TRP59 4.2 8.7 0.2 C2B B:HEM139 4.3 6.7 1.0 C2C B:HEM139 4.3 10.2 1.0 C3B B:HEM139 4.3 6.9 1.0 C3C B:HEM139 4.3 9.7 1.0 CG B:HIS89 4.3 8.7 1.0 C2D B:HEM139 4.3 10.8 1.0 C3A B:HEM139 4.3 9.5 1.0 C2A B:HEM139 4.3 10.3 1.0 C3D B:HEM139 4.3 11.4 1.0 CD1 B:TRP59 4.4 17.3 0.4 CE2 B:TRP59 4.4 8.2 0.2 CH2 B:TRP59 4.5 8.4 0.2 CG B:TRP59 4.6 14.9 0.4 CZ3 B:TRP59 4.6 20.5 0.4 CE3 B:TRP59 4.6 19.7 0.4 CZ2 B:TRP59 4.6 9.0 0.2 CG B:TRP59 4.6 8.2 0.2 CE B:MET86 4.7 10.8 1.0 CG B:TRP59 4.7 8.5 0.3 CB B:TRP59 4.8 7.4 0.3

M.F.Davis, V.De Serrano, H.Gracz, F.A.P.Vendreix, A.Somasundram, M.Negrerie, S.Franzen. The V59W Mutation Blocks the Distal Pocket of the Hemoglobin Dehaloperoxidase From Amphitrite Ornata To Be Published.