Iron in PDB 2xyk: Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens

The structure of Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens, PDB code: 2xyk was solved by A.Pesce, M.Nardini, M.Labarre, C.Richard, J.B.Wittenberg, B.A.Wittenberg, M.Guertin, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.02 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.180, 44.491, 57.580, 90.00, 112.16, 90.00
R / Rfree (%)	17.702 / 23.856

The binding sites of Iron atom in the Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens (pdb code 2xyk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens, PDB code: 2xyk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:8.0 occ:1.00 FE A:HEM700 0.0 8.0 1.0 O A:HOH2050 1.9 4.2 1.0 NE2 A:HIS80 2.0 10.8 1.0 NC A:HEM700 2.0 6.7 1.0 NA A:HEM700 2.1 9.8 1.0 ND A:HEM700 2.1 9.3 1.0 NB A:HEM700 2.1 6.7 1.0 CE1 A:HIS80 2.9 8.6 1.0 CD2 A:HIS80 3.0 6.5 1.0 C4C A:HEM700 3.1 8.9 1.0 C1A A:HEM700 3.1 7.8 1.0 C1C A:HEM700 3.1 7.4 1.0 C4B A:HEM700 3.1 9.3 1.0 C1D A:HEM700 3.1 10.8 1.0 C4A A:HEM700 3.1 8.7 1.0 C4D A:HEM700 3.1 10.6 1.0 C1B A:HEM700 3.2 7.5 1.0 CHD A:HEM700 3.4 9.3 1.0 CHA A:HEM700 3.4 7.9 1.0 CHC A:HEM700 3.4 7.6 1.0 CHB A:HEM700 3.5 7.5 1.0 NE1 A:TRP93 3.9 5.2 1.0 O A:HOH2011 3.9 10.2 1.0 ND1 A:HIS80 4.0 9.6 1.0 CG A:HIS80 4.1 8.7 1.0 C2A A:HEM700 4.3 7.4 1.0 C2C A:HEM700 4.3 7.5 1.0 C3C A:HEM700 4.3 6.5 1.0 C3A A:HEM700 4.3 8.3 1.0 C3B A:HEM700 4.3 8.5 1.0 C2D A:HEM700 4.3 7.2 1.0 C3D A:HEM700 4.3 9.8 1.0 C2B A:HEM700 4.4 6.9 1.0 CE2 A:TRP93 4.7 2.7 1.0 CD1 A:TRP93 4.7 4.8 1.0 CZ2 A:TRP93 4.9 3.3 1.0

Iron binding site 2 out of 2 in the Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Group II 2-on-2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:8.9 occ:1.00 FE B:HEM701 0.0 8.9 1.0 NA B:HEM701 2.0 7.4 1.0 NC B:HEM701 2.0 9.1 1.0 NE2 B:HIS80 2.1 7.8 1.0 ND B:HEM701 2.1 9.2 1.0 NB B:HEM701 2.1 7.4 1.0 O B:HOH2036 2.2 9.6 1.0 C1A B:HEM701 3.0 9.7 1.0 CE1 B:HIS80 3.0 12.8 1.0 C4C B:HEM701 3.0 7.0 1.0 C1C B:HEM701 3.0 6.7 1.0 C4D B:HEM701 3.1 9.6 1.0 C4A B:HEM701 3.1 8.8 1.0 CD2 B:HIS80 3.1 12.0 1.0 C1D B:HEM701 3.1 9.1 1.0 C4B B:HEM701 3.1 5.8 1.0 C1B B:HEM701 3.2 6.4 1.0 CHA B:HEM701 3.4 8.9 1.0 CHC B:HEM701 3.4 6.1 1.0 CHD B:HEM701 3.4 8.1 1.0 CHB B:HEM701 3.5 6.8 1.0 NE1 B:TRP93 3.9 6.2 1.0 O B:HOH2010 4.1 11.7 1.0 ND1 B:HIS80 4.2 10.3 1.0 C2A B:HEM701 4.2 11.0 1.0 CG B:HIS80 4.2 12.2 1.0 C3C B:HEM701 4.2 4.1 1.0 C2C B:HEM701 4.3 6.5 1.0 C3A B:HEM701 4.3 8.9 1.0 C3D B:HEM701 4.3 8.7 1.0 C2D B:HEM701 4.3 8.8 1.0 C3B B:HEM701 4.4 7.2 1.0 C2B B:HEM701 4.4 6.3 1.0 CD1 B:TRP93 4.7 6.4 1.0 CE2 B:TRP93 4.7 6.3 1.0 CZ2 B:TRP93 5.0 7.0 1.0

A.Pesce, M.Nardini, M.Labarre, C.Richard, J.B.Wittenberg, B.A.Wittenberg, M.Guertin, M.Bolognesi. Structural Characterization of A Group II 2/2 Hemoglobin From the Plant Pathogen Agrobacterium Tumefaciens. Biochim.Biophys.Acta V.1814 810 2011.
ISSN: ISSN 0006-3002
PubMed: 21070893
DOI: 10.1016/J.BBAPAP.2010.11.001