Iron in PDB 6sva: Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator.

The structure of Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator., PDB code: 6sva was solved by J.Sandy, J.Sanchez-Weatherby, H.Mikolajek, G.Lewis, R.Angus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.64 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.515, 62.992, 54.591, 90.00, 111.05, 90.00
R / Rfree (%)	14.1 / 17.3

The binding sites of Iron atom in the Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator. (pdb code 6sva). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator., PDB code: 6sva:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:24.6 occ:1.00 FE A:HEM201 0.0 24.6 1.0 ND A:HEM201 2.0 27.1 1.0 NA A:HEM201 2.0 27.5 1.0 NC A:HEM201 2.1 21.2 1.0 NB A:HEM201 2.1 24.6 1.0 NE2 A:HIS87 2.1 22.8 1.0 O A:HOH312 2.3 31.4 1.0 C4D A:HEM201 3.0 27.6 1.0 C1A A:HEM201 3.0 26.2 1.0 C1C A:HEM201 3.0 22.2 1.0 C4C A:HEM201 3.1 22.6 1.0 C4A A:HEM201 3.1 29.1 1.0 C1D A:HEM201 3.1 32.1 1.0 C4B A:HEM201 3.1 25.4 1.0 C1B A:HEM201 3.1 26.2 1.0 CE1 A:HIS87 3.1 26.7 1.0 CD2 A:HIS87 3.1 24.7 1.0 HE1 A:HIS87 3.3 32.1 1.0 HD2 A:HIS87 3.3 29.7 1.0 CHA A:HEM201 3.3 24.9 1.0 CHC A:HEM201 3.4 21.7 1.0 CHD A:HEM201 3.4 25.3 1.0 CHB A:HEM201 3.5 31.6 1.0 HE2 A:HIS58 3.5 36.0 1.0 NE2 A:HIS58 4.2 29.9 1.0 C2A A:HEM201 4.2 32.9 1.0 C2C A:HEM201 4.2 24.4 1.0 HE1 A:HIS58 4.2 42.2 1.0 C3C A:HEM201 4.2 20.1 1.0 C3D A:HEM201 4.2 29.6 1.0 ND1 A:HIS87 4.3 26.4 1.0 C3A A:HEM201 4.3 29.2 1.0 CG A:HIS87 4.3 23.0 1.0 C2D A:HEM201 4.3 29.6 1.0 HHA A:HEM201 4.3 29.9 1.0 C2B A:HEM201 4.3 25.7 1.0 C3B A:HEM201 4.3 19.8 1.0 HHC A:HEM201 4.4 26.1 1.0 HG22 A:VAL62 4.4 38.9 1.0 HHD A:HEM201 4.4 30.5 1.0 HHB A:HEM201 4.4 38.0 1.0 CE1 A:HIS58 4.6 35.1 1.0 HZ A:PHE43 4.8 30.6 1.0 HD12 A:LEU91 4.9 44.5 1.0 HD13 A:LEU136 5.0 45.0 1.0 HD13 A:LEU91 5.0 44.5 1.0

Iron binding site 2 out of 2 in the Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:30.8 occ:1.00 FE B:HEM201 0.0 30.8 1.0 NA B:HEM201 2.0 28.2 1.0 NC B:HEM201 2.1 27.5 1.0 ND B:HEM201 2.1 33.7 1.0 NB B:HEM201 2.1 30.4 1.0 NE2 B:HIS92 2.3 31.5 1.0 O B:HOH305 2.3 42.6 1.0 C4A B:HEM201 3.0 32.7 1.0 C1C B:HEM201 3.1 26.1 1.0 C4C B:HEM201 3.1 27.6 1.0 C1B B:HEM201 3.1 31.7 1.0 C1D B:HEM201 3.1 31.2 1.0 C1A B:HEM201 3.1 35.6 1.0 C4D B:HEM201 3.1 30.0 1.0 C4B B:HEM201 3.1 29.6 1.0 CD2 B:HIS92 3.1 32.9 1.0 HD2 B:HIS92 3.2 39.5 1.0 CE1 B:HIS92 3.3 37.6 1.0 HE2 B:HIS63 3.3 38.8 1.0 CHB B:HEM201 3.4 33.6 1.0 CHC B:HEM201 3.4 27.1 1.0 CHD B:HEM201 3.4 32.4 1.0 CHA B:HEM201 3.5 34.7 1.0 HE1 B:HIS92 3.5 45.2 1.0 HG22 B:VAL67 3.8 30.3 1.0 NE2 B:HIS63 4.2 32.3 1.0 C3A B:HEM201 4.3 33.5 1.0 C2C B:HEM201 4.3 31.6 1.0 C2A B:HEM201 4.3 40.2 1.0 C3C B:HEM201 4.3 29.0 1.0 C2D B:HEM201 4.3 30.2 1.0 C3D B:HEM201 4.3 34.8 1.0 CG B:HIS92 4.3 41.9 1.0 C2B B:HEM201 4.3 28.0 1.0 C3B B:HEM201 4.4 30.7 1.0 ND1 B:HIS92 4.4 35.7 1.0 HHB B:HEM201 4.4 40.4 1.0 HHC B:HEM201 4.4 32.6 1.0 HHD B:HEM201 4.4 38.9 1.0 HHA B:HEM201 4.5 41.7 1.0 HG21 B:VAL67 4.5 30.3 1.0 CG2 B:VAL67 4.6 25.2 1.0 HE1 B:HIS63 4.6 44.4 1.0 HD13 B:LEU96 4.8 56.4 1.0 CE1 B:HIS63 4.8 37.0 1.0 HZ B:PHE42 4.9 37.9 1.0 HD12 B:LEU96 4.9 56.4 1.0 HE1 B:PHE103 5.0 47.9 1.0 HG23 B:VAL67 5.0 30.3 1.0

J.Sandy, J.Sanchez-Weatherby, H.Mikolajek, G.Lewis, R.Angus. Multicrystal Structure of Equine Haemoglobin at Room Temperature Using A Multilayer Monochromator. To Be Published.