Calcium in PDB 6mf0: Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII

The structure of Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII, PDB code: 6mf0 was solved by I.W.Smith, P.C.Spiegel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.03 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.005, 135.863, 196.107, 90.00, 90.15, 90.00
R / Rfree (%)	20.6 / 28.7

The structure of Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII also contains other interesting chemical elements:

Copper	(Cu)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Calcium atom in the Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII (pdb code 6mf0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII, PDB code: 6mf0:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2414 b:40.2 occ:1.00 OD1 A:ASP127 2.3 40.3 1.0 O A:LYS108 2.4 38.0 1.0 OD1 A:ASP126 2.5 38.3 1.0 O A:GLU123 2.7 44.2 1.0 OD2 A:ASP126 2.9 40.0 1.0 CG A:ASP126 3.1 40.6 1.0 CG A:ASP127 3.1 45.5 1.0 OD2 A:ASP127 3.3 53.6 1.0 C A:LYS108 3.5 40.2 1.0 O A:ALA113 3.7 48.5 1.0 C A:GLU123 3.9 42.3 1.0 OE1 A:GLU111 3.9 40.8 1.0 CB A:GLU111 4.2 41.5 1.0 CA A:LYS108 4.2 40.5 1.0 OD2 A:ASP117 4.2 49.4 1.0 CA A:LYS124 4.3 42.8 1.0 CD A:LYS108 4.4 34.8 1.0 CB A:ASP127 4.5 40.4 1.0 N A:ASP127 4.5 38.7 1.0 CG2 A:THR119 4.6 47.0 1.0 N A:LYS124 4.6 42.8 1.0 N A:GLU111 4.6 35.8 1.0 CB A:ASP126 4.6 42.9 1.0 N A:SER109 4.6 41.4 1.0 CB A:LYS108 4.7 37.9 1.0 CA A:ASP127 4.8 39.4 1.0 N A:GLY112 4.8 41.4 1.0 C A:ALA113 4.9 45.7 1.0 CA A:GLU111 4.9 37.4 1.0 CA A:SER109 4.9 40.1 1.0 CA A:GLU123 4.9 42.3 1.0 CD A:GLU111 4.9 39.9 1.0 N A:ALA113 5.0 37.0 1.0 N A:SER110 5.0 43.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2419 b:59.3 occ:1.00 O B:LYS108 2.2 53.5 1.0 OD2 B:ASP126 2.3 58.4 1.0 OD1 B:ASP127 2.4 61.0 1.0 O B:GLU123 2.5 69.5 1.0 OD2 B:ASP127 2.8 62.2 1.0 CG B:ASP127 2.9 62.0 1.0 CG B:ASP126 3.2 60.6 1.0 C B:LYS108 3.4 54.7 1.0 OD1 B:ASP126 3.5 65.4 1.0 C B:GLU123 3.7 67.9 1.0 OD2 B:ASP117 3.7 61.4 1.0 O B:ALA113 4.0 56.5 1.0 OE1 B:GLU111 4.0 58.5 1.0 CA B:LYS108 4.2 57.5 1.0 CB B:ASP127 4.3 62.6 1.0 N B:SER109 4.3 59.8 1.0 N B:ASP127 4.4 54.4 1.0 CA B:LYS124 4.4 67.6 1.0 CB B:GLU111 4.4 59.6 1.0 CA B:SER109 4.5 63.1 1.0 N B:LYS124 4.5 64.8 1.0 CB B:LYS108 4.6 59.2 1.0 CB B:ASP126 4.6 53.4 1.0 CG B:LYS124 4.6 74.2 1.0 N B:GLY112 4.7 51.8 1.0 CA B:GLU123 4.8 70.7 1.0 CD B:GLU111 4.8 57.9 1.0 CE B:LYS108 4.9 50.0 1.0 CA B:ASP127 4.9 55.8 1.0 CB B:GLU123 4.9 62.7 1.0 CG B:ASP117 4.9 62.9 1.0 OG1 B:THR119 5.0 54.8 1.0

I.W.Smith, A.E.D'aquino, C.W.Coyle, A.Fedanov, E.T.Parker, G.Denning, H.T.Spencer, P.Lollar, C.B.Doering, P.C.Spiegel Jr.. The 3.2 Angstrom Structure of A Bioengineered Variant of Blood Coagulation Factor VIII Indicates Two Conformations of the C2 Domain. J.Thromb.Haemost. 2019.
ISSN: ESSN 1538-7836
PubMed: 31454152
DOI: 10.1111/JTH.14621