Sodium 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:

Iron	(Fe)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle., PDB code: 6r2o:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Hemoglobin Structure From Serial Crystallography with A 3D-Printed Nozzle.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na 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:Na202 b:50.0 occ:1.00 ND1 A:HIS103 2.8 35.9 1.0 O A:HOH302 2.8 25.6 1.0 HA A:HIS103 3.0 38.9 1.0 HB3 B:ASN108 3.1 44.8 1.0 HB2 A:HIS103 3.2 40.0 1.0 O A:HOH310 3.2 36.4 1.0 HG21 B:VAL112 3.3 40.7 1.0 HD12 A:LEU106 3.3 35.6 1.0 CG A:HIS103 3.6 35.4 1.0 CB A:HIS103 3.6 33.4 1.0 CA A:HIS103 3.7 32.4 1.0 CE1 A:HIS103 3.8 37.8 1.0 HG23 B:VAL112 3.9 40.7 1.0 CB B:ASN108 3.9 37.3 1.0 HE1 A:HIS103 4.0 45.4 1.0 CG2 B:VAL112 4.0 33.9 1.0 HB2 B:ASN108 4.0 44.8 1.0 HB2 A:LEU106 4.1 38.2 1.0 CD1 A:LEU106 4.2 29.6 1.0 OH B:TYR35 4.3 38.9 1.0 HE2 A:HIS122 4.3 41.0 1.0 HD13 A:LEU106 4.3 35.6 1.0 HG22 B:VAL112 4.3 40.7 1.0 HH B:TYR35 4.4 46.6 1.0 HD22 B:ASN108 4.4 44.0 1.0 O B:ASN108 4.5 39.2 1.0 O A:HIS103 4.6 33.8 1.0 HB3 A:HIS103 4.6 40.0 1.0 C B:ASN108 4.6 38.4 1.0 C A:HIS103 4.6 32.6 1.0 HA B:VAL109 4.7 45.4 1.0 N A:HIS103 4.7 31.7 1.0 CG B:ASN108 4.8 37.4 1.0 CD2 A:HIS103 4.8 37.8 1.0 HD11 A:LEU106 4.8 35.6 1.0 HG22 B:VAL109 4.8 43.9 1.0 ND2 B:ASN108 4.8 36.6 1.0 NE2 A:HIS103 4.9 39.1 1.0 CB A:LEU106 4.9 31.8 1.0 CA B:ASN108 4.9 39.8 1.0 N B:VAL109 4.9 37.6 1.0 HB3 A:LEU106 5.0 38.2 1.0

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


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na 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 C:Na202 b:52.1 occ:1.00 HE2 C:HIS122 2.1 31.2 1.0 HH D:TYR35 2.6 42.8 1.0 O C:HOH308 2.8 27.7 1.0 NE2 C:HIS122 2.9 25.9 1.0 OH D:TYR35 3.2 35.7 1.0 HD12 C:LEU106 3.3 31.5 1.0 HG22 D:VAL109 3.4 35.2 1.0 HD13 C:LEU106 3.5 31.5 1.0 HE1 C:HIS122 3.6 32.6 1.0 CE1 C:HIS122 3.7 27.1 1.0 HG11 D:VAL34 3.7 32.8 1.0 HE2 D:TYR35 3.7 33.9 1.0 CD1 C:LEU106 3.8 26.2 1.0 HG21 D:VAL112 3.8 37.4 1.0 HG23 D:VAL109 3.9 35.2 1.0 CD2 C:HIS122 4.0 26.0 1.0 HD11 C:LEU106 4.1 31.5 1.0 CG2 D:VAL109 4.1 29.3 1.0 CZ D:TYR35 4.1 31.8 1.0 O C:HOH322 4.1 39.4 1.0 HA D:VAL109 4.2 32.3 1.0 HD2 C:HIS122 4.2 31.3 1.0 CE2 D:TYR35 4.3 28.2 1.0 OD1 C:ASP126 4.3 34.9 1.0 O D:HOH313 4.3 38.7 1.0 HD1 C:HIS103 4.4 30.5 1.0 HB2 C:ASP126 4.5 40.0 1.0 CG1 D:VAL34 4.5 27.3 1.0 HG12 D:VAL34 4.5 32.8 1.0 HG21 D:VAL109 4.7 35.2 1.0 CG2 D:VAL112 4.7 31.1 1.0 HG21 D:VAL34 4.7 35.5 1.0 HB3 D:ASN108 4.8 34.5 1.0 HG23 D:VAL112 4.8 37.4 1.0 CG C:ASP126 4.8 34.0 1.0 ND1 C:HIS122 4.9 28.0 1.0 CA D:VAL109 4.9 26.9 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