Iron in PDB 3wr1: Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin

The structure of Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin, PDB code: 3wr1 was solved by G.Jagadeesan, V.Vinodh Kumar, H.G.Peters, P.Malathy, S.Harikrishna Etti, K.Gunasekaran, S.Aravindhan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.08 / 3.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.640, 55.640, 153.381, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 26.5

The binding sites of Iron atom in the Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin (pdb code 3wr1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin, PDB code: 3wr1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:5.7 occ:1.00 FE A:HEM201 0.0 5.7 1.0 ND A:HEM201 1.9 5.7 1.0 NA A:HEM201 2.0 5.8 1.0 NC A:HEM201 2.1 5.7 1.0 NB A:HEM201 2.1 5.7 1.0 O A:HOH301 2.3 3.8 1.0 NE2 A:HIS87 2.5 11.3 1.0 C1D A:HEM201 2.9 5.8 1.0 C4D A:HEM201 2.9 5.8 1.0 C1A A:HEM201 3.0 5.8 1.0 C4A A:HEM201 3.0 5.8 1.0 C4C A:HEM201 3.0 5.7 1.0 C4B A:HEM201 3.1 5.7 1.0 C1B A:HEM201 3.1 5.7 1.0 C1C A:HEM201 3.1 5.7 1.0 CE1 A:HIS87 3.3 11.4 1.0 CHD A:HEM201 3.3 5.8 1.0 CHA A:HEM201 3.3 5.8 1.0 CHB A:HEM201 3.5 5.7 1.0 CHC A:HEM201 3.5 5.7 1.0 CD2 A:HIS87 3.5 11.4 1.0 C2D A:HEM201 4.1 5.8 1.0 C3D A:HEM201 4.1 5.8 1.0 C2A A:HEM201 4.2 5.9 1.0 C3A A:HEM201 4.2 5.9 1.0 NE2 A:HIS58 4.3 6.5 1.0 C3C A:HEM201 4.3 5.8 1.0 C2C A:HEM201 4.3 5.7 1.0 C2B A:HEM201 4.3 5.7 1.0 C3B A:HEM201 4.4 5.7 1.0 ND1 A:HIS87 4.5 11.4 1.0 CE1 A:HIS58 4.5 6.5 1.0 CG A:HIS87 4.6 11.5 1.0 CG2 A:VAL62 4.7 6.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:4.5 occ:1.00 FE B:HEM201 0.0 4.5 1.0 ND B:HEM201 1.9 4.5 1.0 NA B:HEM201 2.0 4.6 1.0 NC B:HEM201 2.1 4.5 1.0 NB B:HEM201 2.1 4.6 1.0 NE2 B:HIS92 2.2 4.7 1.0 C1D B:HEM201 2.9 4.5 1.0 C4D B:HEM201 2.9 4.5 1.0 CE1 B:HIS92 2.9 4.7 1.0 C1A B:HEM201 3.0 4.6 1.0 C4A B:HEM201 3.0 4.6 1.0 C1B B:HEM201 3.1 4.6 1.0 C4C B:HEM201 3.1 4.5 1.0 C4B B:HEM201 3.1 4.6 1.0 C1C B:HEM201 3.1 4.5 1.0 CD2 B:HIS92 3.3 4.7 1.0 CHA B:HEM201 3.4 4.6 1.0 CHD B:HEM201 3.4 4.5 1.0 CHB B:HEM201 3.4 4.6 1.0 CHC B:HEM201 3.5 4.5 1.0 ND1 B:HIS92 4.1 4.7 1.0 C3D B:HEM201 4.2 4.5 1.0 C2D B:HEM201 4.2 4.5 1.0 C2A B:HEM201 4.2 4.6 1.0 C3A B:HEM201 4.2 4.5 1.0 C3C B:HEM201 4.3 4.5 1.0 C2C B:HEM201 4.3 4.5 1.0 C2B B:HEM201 4.3 4.6 1.0 CG B:HIS92 4.3 4.7 1.0 C3B B:HEM201 4.4 4.6 1.0 CG2 B:VAL67 4.4 5.7 1.0 NE2 B:HIS63 4.6 5.7 1.0 CE1 B:HIS63 4.8 5.8 1.0

G.Jagadeesan, V.Vinodh Kumar, H.G.Peters, P.Malathy, S.Harikrishna Etti, K.Gunasekaran, S.Aravindhan. Crystal Structure of Cormorant (Phalacrocorax Carbo) Hemoglobin To Be Published.