Calcium in PDB 2zs0: Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin

The structure of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin, PDB code: 2zs0 was solved by N.Numoto, T.Nakagawa, A.Kita, Y.Sasayama, Y.Fukumori, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.23 / 1.60
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	110.720, 110.720, 274.357, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.8

The structure of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin (pdb code 2zs0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin, PDB code: 2zs0:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca5001 b:26.3 occ:0.70 O A:HOH9502 2.3 20.6 0.5 O A:HOH9504 2.4 46.7 1.0 O A:HOH9503 2.4 42.9 1.0 O A:THR117 2.5 21.9 1.0 C A:THR117 3.5 20.4 1.0 CA A:THR117 4.1 18.1 1.0 N A:HIS118 4.5 17.6 1.0 CB A:THR117 4.6 19.9 1.0 CA A:HIS118 4.7 19.6 1.0 O A:LEU119 4.8 19.6 1.0 N A:LEU119 5.0 19.0 1.0 O A:PRO116 5.0 19.3 1.0

Calcium binding site 2 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca5002 b:33.5 occ:0.70 O B:ASP55 1.9 30.9 1.0 O B:HOH9335 2.4 52.0 1.0 O B:HOH9506 2.4 46.6 1.0 O B:HOH9505 2.4 36.8 1.0 O B:HOH9545 2.7 35.8 1.0 O B:HOH9757 2.7 44.5 1.0 C B:ASP55 3.0 28.0 1.0 O B:HOH9507 3.1 47.5 1.0 CA B:SER56 3.6 26.8 1.0 N B:SER56 3.7 25.8 1.0 C B:SER56 3.7 27.4 1.0 N B:SER57 3.9 24.1 1.0 CA B:ASP55 4.2 28.9 1.0 CB B:ASP55 4.3 32.1 1.0 O B:SER56 4.4 25.9 1.0 OG B:SER57 4.6 28.0 1.0 O C:HOH9376 4.6 33.0 1.0 CA B:SER57 4.7 22.7 1.0 CB B:SER56 5.0 25.6 1.0

Calcium binding site 3 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca5004 b:30.4 occ:0.70 O B:HOH9591 2.4 50.2 1.0 O B:HOH9731 2.4 48.9 1.0 OD1 B:ASP95 2.4 33.6 1.0 O B:HOH9209 2.4 49.2 1.0 O B:HOH9166 2.4 31.5 1.0 O B:SER92 2.4 24.0 1.0 O B:HOH9708 2.5 51.9 1.0 CG B:ASP95 3.4 32.9 1.0 C B:SER92 3.6 23.2 1.0 OD2 B:ASP95 3.7 30.9 1.0 CA B:SER92 4.3 21.5 1.0 O B:ASP95 4.3 31.8 1.0 OG B:SER96 4.4 45.3 1.0 N B:GLN93 4.6 21.5 1.0 CB B:SER92 4.7 25.0 1.0 CB B:ASP95 4.8 30.1 1.0 O B:HOH9450 4.8 37.3 1.0 C B:ASP95 4.8 31.5 1.0 N B:ASP95 4.8 26.3 1.0 CA B:GLN93 4.9 22.8 1.0

Calcium binding site 4 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca5003 b:26.0 occ:0.70 OD1 C:ASP26 2.4 34.1 1.0 OD2 B:ASP78 2.4 27.0 1.0 O C:HOH9510 2.4 35.8 1.0 O B:HOH9508 2.4 39.0 1.0 O C:HOH9075 2.4 25.6 1.0 O C:HOH9511 2.4 41.4 1.0 O B:HOH9509 2.4 33.5 1.0 CG C:ASP26 3.3 30.1 1.0 CG B:ASP78 3.4 24.7 1.0 OD2 C:ASP26 3.4 28.5 1.0 OD1 B:ASP78 3.8 21.4 1.0 O C:HOH9579 4.0 43.6 1.0 OG C:SER25 4.5 27.4 1.0 CD1 C:TYR24 4.6 17.9 1.0 CB B:ASP79 4.6 20.9 1.0 CB C:ASP26 4.6 23.9 1.0 O D:HOH9519 4.7 37.2 1.0 CB B:ASP78 4.7 21.7 1.0 N C:ASP26 4.8 20.1 1.0 OD2 B:ASP79 4.8 24.4 1.0 O B:ASP78 4.9 24.5 1.0 O C:HOH9188 4.9 37.6 1.0

N.Numoto, T.Nakagawa, A.Kita, Y.Sasayama, Y.Fukumori, K.Miki. Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin Biochemistry V. 47 11231 2008.
ISSN: ISSN 0006-2960
PubMed: 18834142
DOI: 10.1021/BI8012609