Calcium in PDB 7ahu: Anti-Fx Fab of MIM8 in Complex with Human Fxa

All present enzymatic activity of Anti-Fx Fab of MIM8 in Complex with Human Fxa:
3.4.21.6;

The structure of Anti-Fx Fab of MIM8 in Complex with Human Fxa, PDB code: 7ahu was solved by E.Johansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.59 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.13, 105.25, 145.78, 90, 90, 90
R / Rfree (%)	20.3 / 26.3

The binding sites of Calcium atom in the Anti-Fx Fab of MIM8 in Complex with Human Fxa (pdb code 7ahu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Anti-Fx Fab of MIM8 in Complex with Human Fxa, PDB code: 7ahu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Anti-Fx Fab of MIM8 in Complex with Human Fxa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Anti-Fx Fab of MIM8 in Complex with Human Fxa within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:46.6 occ:1.00 OD2 C:ASP71 2.3 42.8 1.0 OE2 C:GLU81 2.3 57.6 1.0 O C:HOH436 2.3 38.8 1.0 O C:GLN76 3.1 55.9 1.0 O C:ASN73 3.1 51.6 1.0 CG C:ASP71 3.2 42.3 1.0 CD C:GLU81 3.3 56.6 1.0 OD1 C:ASP71 3.5 35.6 1.0 CG C:GLU81 3.7 51.0 1.0 CA C:GLU77 3.7 58.0 1.0 C C:GLN76 3.8 59.4 1.0 N C:GLU77 4.1 59.3 1.0 CG C:GLU77 4.1 51.8 1.0 O C:HOH454 4.2 46.8 1.0 C C:ASN73 4.2 44.6 1.0 O C:HOH459 4.4 34.0 1.0 N C:GLU78 4.4 53.8 1.0 OE1 C:GLU81 4.4 57.1 1.0 O C:THR74 4.5 55.3 1.0 CB C:GLU77 4.5 57.0 1.0 CB C:ASP71 4.5 43.7 1.0 CB C:GLU81 4.5 49.8 1.0 C C:GLU77 4.6 56.8 1.0 C C:THR74 4.6 50.8 1.0 CA C:THR74 4.7 41.0 1.0 NH2 C:ARG68 4.8 44.3 1.0 CA C:ASP71 4.8 42.9 1.0 NE C:ARG68 4.9 41.7 1.0 N C:GLN76 4.9 56.9 1.0 N C:THR74 4.9 41.6 1.0 CZ C:ARG68 5.0 45.3 1.0

Calcium binding site 2 out of 2 in the Anti-Fx Fab of MIM8 in Complex with Human Fxa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Anti-Fx Fab of MIM8 in Complex with Human Fxa within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca302 b:53.9 occ:1.00 O E:GLN76 2.0 56.9 1.0 OE1 E:GLU81 2.1 62.9 1.0 O E:ASN73 2.3 52.2 1.0 O E:HOH430 2.4 40.4 1.0 CA E:GLU77 2.8 64.0 1.0 C E:GLN76 2.8 60.6 1.0 CD E:GLU81 2.9 59.7 1.0 N E:GLU77 3.1 65.1 1.0 OE2 E:GLU81 3.2 55.9 1.0 N E:GLU78 3.2 62.7 1.0 OD1 E:ASP71 3.3 50.4 1.0 C E:ASN73 3.5 49.6 1.0 C E:GLU77 3.5 65.8 1.0 CB E:GLU77 3.9 59.2 1.0 N E:GLN76 4.1 49.4 1.0 CA E:GLN76 4.1 54.9 1.0 N E:ASN73 4.1 46.9 1.0 CG E:GLU81 4.1 56.7 1.0 CA E:ASN73 4.1 45.1 1.0 CG E:GLU77 4.2 60.0 1.0 CG E:ASP71 4.2 54.7 1.0 CB E:ASN73 4.2 47.0 1.0 OD2 E:ASP71 4.4 52.3 1.0 CA E:GLU78 4.4 65.8 1.0 CD E:GLU77 4.5 56.1 1.0 N E:THR74 4.6 45.4 1.0 C E:THR74 4.6 49.6 1.0 C E:GLU75 4.6 48.1 1.0 O E:GLU77 4.7 65.3 1.0 OE1 E:GLU77 4.7 56.9 1.0 CA E:THR74 4.7 40.4 1.0 O E:THR74 4.8 56.9 1.0 N E:GLU75 4.8 50.9 1.0 O E:GLU75 4.9 49.7 1.0

H.Ostergaard, J.Lund, P.J.Greisen, S.Kjellev, A.Henriksen, N.Lorenzen, E.Johansson, G.Roder, M.G.Rasch, L.B.Johnsen, T.Egebjerg, S.Lund, H.Rahbek-Nielsen, P.S.Gandhi, K.Lamberth, M.Loftager, L.M.Andersen, A.C.Bonde, F.Stavenuiter, D.E.Madsen, X.Li, T.L.Holm, C.D.Ley, P.Thygesen, H.Zhu, R.Zhou, K.Thorn, Z.Yang, M.B.Hermit, J.R.Bjelke, B.G.Hansen, I.Hilden. Fviiia-Mimetic Bispecific Antibody (MIM8) Ameliorates Bleeding Upon Severe Vascular Challenge in Hemophilia A Mice. Blood 2021.
ISSN: ESSN 1528-0020
PubMed: 34077951
DOI: 10.1182/BLOOD.2020010331