Iron in PDB 6r2o: Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle.

The structure of Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle., PDB code: 6r2o was solved by D.Oberthuer, O.Yefanov, I.Sarrou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 2.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.500, 80.800, 110.800, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.2

The structure of Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle. also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle. (pdb code 6r2o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle., PDB code: 6r2o:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:49.0 occ:1.00 FE A:HEM201 0.0 49.0 1.0 ND A:HEM201 2.0 50.1 1.0 NA A:HEM201 2.0 51.2 1.0 NC A:HEM201 2.0 44.8 1.0 NB A:HEM201 2.1 44.0 1.0 NE2 A:HIS87 2.5 39.2 1.0 C4D A:HEM201 3.0 52.5 1.0 C1A A:HEM201 3.1 53.8 1.0 C4A A:HEM201 3.1 49.7 1.0 C1D A:HEM201 3.1 49.1 1.0 C4C A:HEM201 3.1 43.2 1.0 C1C A:HEM201 3.1 42.1 1.0 C4B A:HEM201 3.1 41.0 1.0 C1B A:HEM201 3.1 41.9 1.0 CD2 A:HIS87 3.3 39.0 1.0 HD2 A:HIS87 3.4 46.9 1.0 CHA A:HEM201 3.4 53.8 1.0 CHD A:HEM201 3.4 45.5 1.0 CHB A:HEM201 3.4 45.7 1.0 CHC A:HEM201 3.4 41.2 1.0 CE1 A:HIS87 3.5 39.7 1.0 HE2 A:HIS58 3.7 63.7 1.0 HE1 A:HIS87 3.7 47.7 1.0 HE1 A:HIS58 3.8 64.2 1.0 HG22 A:VAL62 4.1 51.3 1.0 NE2 A:HIS58 4.2 53.1 1.0 C3D A:HEM201 4.3 53.9 1.0 C3A A:HEM201 4.3 53.4 1.0 C2A A:HEM201 4.3 56.5 1.0 C2D A:HEM201 4.3 52.2 1.0 C3C A:HEM201 4.3 41.4 1.0 C2C A:HEM201 4.3 42.3 1.0 C3B A:HEM201 4.3 40.8 1.0 C2B A:HEM201 4.3 40.2 1.0 CE1 A:HIS58 4.3 53.5 1.0 HHA A:HEM201 4.4 64.6 1.0 HHD A:HEM201 4.4 54.7 1.0 HHC A:HEM201 4.4 49.4 1.0 HHB A:HEM201 4.4 54.9 1.0 CG A:HIS87 4.5 39.9 1.0 ND1 A:HIS87 4.6 40.4 1.0 HZ A:PHE43 4.7 59.0 1.0 HG21 A:VAL62 4.8 51.3 1.0 CG2 A:VAL62 4.8 42.7 1.0 HG23 A:VAL62 4.9 51.3 1.0

Iron binding site 2 out of 4 in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:65.2 occ:1.00 FE B:HEM201 0.0 65.2 1.0 NB B:HEM201 2.1 62.4 1.0 NA B:HEM201 2.1 69.8 1.0 NC B:HEM201 2.1 59.9 1.0 ND B:HEM201 2.1 63.2 1.0 O B:HOH303 2.4 34.9 1.0 NE2 B:HIS92 2.6 64.5 1.0 C4A B:HEM201 3.1 71.0 1.0 C1C B:HEM201 3.1 57.1 1.0 C1A B:HEM201 3.1 72.1 1.0 C1D B:HEM201 3.1 61.0 1.0 C4C B:HEM201 3.1 58.1 1.0 C4B B:HEM201 3.1 59.9 1.0 C4D B:HEM201 3.1 64.0 1.0 C1B B:HEM201 3.1 63.6 1.0 HE2 B:HIS63 3.3 75.2 1.0 CHC B:HEM201 3.4 58.0 1.0 CHA B:HEM201 3.4 67.7 1.0 CHB B:HEM201 3.4 67.7 1.0 CHD B:HEM201 3.4 59.6 1.0 CD2 B:HIS92 3.5 64.7 1.0 HD2 B:HIS92 3.6 77.6 1.0 CE1 B:HIS92 3.6 67.6 1.0 HE1 B:HIS92 3.8 81.1 1.0 HG22 B:VAL67 4.0 67.0 1.0 NE2 B:HIS63 4.1 62.6 1.0 C3A B:HEM201 4.3 75.1 1.0 C2A B:HEM201 4.3 79.4 1.0 C2C B:HEM201 4.3 55.3 1.0 C2D B:HEM201 4.3 60.8 1.0 C3D B:HEM201 4.3 62.4 1.0 C3C B:HEM201 4.3 56.1 1.0 C3B B:HEM201 4.3 60.0 1.0 C2B B:HEM201 4.3 60.8 1.0 HHA B:HEM201 4.4 81.3 1.0 HHC B:HEM201 4.4 69.6 1.0 HE1 B:HIS63 4.4 77.4 1.0 HHB B:HEM201 4.4 81.2 1.0 HHD B:HEM201 4.4 71.5 1.0 HZ B:PHE42 4.6 55.8 1.0 HG21 B:VAL67 4.6 67.0 1.0 CE1 B:HIS63 4.7 64.5 1.0 CG B:HIS92 4.7 68.0 1.0 CG2 B:VAL67 4.7 55.8 1.0 ND1 B:HIS92 4.7 69.4 1.0 HD13 B:LEU96 4.8 87.2 1.0 HD21 B:LEU141 5.0 75.6 1.0

Iron binding site 3 out of 4 in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:42.9 occ:1.00 FE C:HEM201 0.0 42.9 1.0 ND C:HEM201 2.0 43.3 1.0 NB C:HEM201 2.1 37.7 1.0 NA C:HEM201 2.1 42.4 1.0 NC C:HEM201 2.1 38.1 1.0 O C:HOH302 2.4 30.0 1.0 NE2 C:HIS87 2.4 34.0 1.0 C1D C:HEM201 3.0 43.2 1.0 C4A C:HEM201 3.0 40.4 1.0 C1B C:HEM201 3.1 36.9 1.0 C4C C:HEM201 3.1 36.6 1.0 C4D C:HEM201 3.1 44.4 1.0 C1C C:HEM201 3.1 35.0 1.0 C4B C:HEM201 3.1 34.3 1.0 C1A C:HEM201 3.1 43.2 1.0 CD2 C:HIS87 3.3 34.7 1.0 HE2 C:HIS58 3.4 49.0 1.0 CHD C:HEM201 3.4 40.5 1.0 CE1 C:HIS87 3.4 36.0 1.0 CHB C:HEM201 3.4 37.9 1.0 HD2 C:HIS87 3.4 41.7 1.0 CHA C:HEM201 3.4 43.7 1.0 CHC C:HEM201 3.4 33.7 1.0 HE1 C:HIS87 3.6 43.2 1.0 NE2 C:HIS58 4.1 40.8 1.0 HE1 C:HIS58 4.1 49.6 1.0 C2D C:HEM201 4.2 45.9 1.0 HG22 C:VAL62 4.3 35.9 1.0 C3D C:HEM201 4.3 46.5 1.0 C3A C:HEM201 4.3 41.5 1.0 C3C C:HEM201 4.3 33.1 1.0 C2C C:HEM201 4.3 32.6 1.0 C2B C:HEM201 4.3 35.0 1.0 C2A C:HEM201 4.3 44.1 1.0 C3B C:HEM201 4.3 35.3 1.0 HHD C:HEM201 4.4 48.6 1.0 HHB C:HEM201 4.4 45.6 1.0 HHA C:HEM201 4.4 52.5 1.0 HHC C:HEM201 4.4 40.5 1.0 CE1 C:HIS58 4.5 41.3 1.0 CG C:HIS87 4.5 35.6 1.0 ND1 C:HIS87 4.5 36.1 1.0 HZ C:PHE43 4.6 41.1 1.0

Iron binding site 4 out of 4 in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:38.5 occ:1.00 FE D:HEM201 0.0 38.5 1.0 NC D:HEM201 2.0 34.2 1.0 NA D:HEM201 2.0 37.1 1.0 ND D:HEM201 2.1 37.8 1.0 NB D:HEM201 2.1 34.3 1.0 O D:HOH305 2.3 26.5 1.0 NE2 D:HIS92 2.4 30.8 1.0 C4A D:HEM201 3.0 34.8 1.0 C1A D:HEM201 3.0 37.4 1.0 C4C D:HEM201 3.1 32.3 1.0 C1C D:HEM201 3.1 30.1 1.0 C4D D:HEM201 3.1 37.5 1.0 C1D D:HEM201 3.1 35.4 1.0 C1B D:HEM201 3.1 32.2 1.0 C4B D:HEM201 3.1 33.1 1.0 HE2 D:HIS63 3.2 47.5 1.0 CD2 D:HIS92 3.3 32.5 1.0 CE1 D:HIS92 3.4 33.1 1.0 HD2 D:HIS92 3.4 39.1 1.0 CHB D:HEM201 3.4 32.5 1.0 CHA D:HEM201 3.4 37.1 1.0 CHD D:HEM201 3.4 33.5 1.0 CHC D:HEM201 3.4 31.7 1.0 HE1 D:HIS92 3.6 39.8 1.0 HG22 D:VAL67 3.7 39.3 1.0 NE2 D:HIS63 4.0 39.6 1.0 C3A D:HEM201 4.2 36.3 1.0 C2A D:HEM201 4.2 37.9 1.0 C2C D:HEM201 4.3 28.7 1.0 C3D D:HEM201 4.3 38.8 1.0 C3C D:HEM201 4.3 30.6 1.0 C2D D:HEM201 4.3 37.6 1.0 C2B D:HEM201 4.3 33.2 1.0 HE1 D:HIS63 4.3 50.2 1.0 C3B D:HEM201 4.3 34.2 1.0 HG21 D:VAL67 4.4 39.3 1.0 HHA D:HEM201 4.4 44.6 1.0 HHB D:HEM201 4.4 39.0 1.0 HHD D:HEM201 4.4 40.3 1.0 CG2 D:VAL67 4.4 32.7 1.0 HHC D:HEM201 4.4 38.0 1.0 CG D:HIS92 4.5 33.3 1.0 ND1 D:HIS92 4.5 34.5 1.0 CE1 D:HIS63 4.5 41.8 1.0 HZ D:PHE42 4.6 41.3 1.0 HG23 D:VAL67 4.7 39.3 1.0

J.Knoska, L.Adriano, S.Awel, K.R.Beyerlein, O.Yefanov, D.Oberthuer, G.E.Pena Murillo, N.Roth, I.Sarrou, P.Villanueva-Perez, M.O.Wiedorn, F.Wilde, S.Bajt, H.N.Chapman, M.Heymann. Ultracompact 3D Microfluidics For Time-Resolved Structural Biology Nat Commun 2020.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-020-14434-6