Calcium in PDB 5udi: IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap)

The structure of IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap), PDB code: 5udi was solved by Y.M.Abbas, S.Martinez-Montero, M.J.Damha, B.Nagar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.12 / 1.58
Space group	P 42 2 2
Cell size a, b, c (Å), α, β, γ (°)	111.715, 111.715, 93.157, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 17.8

The binding sites of Calcium atom in the IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap) (pdb code 5udi). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap), PDB code: 5udi:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:23.4 occ:0.66 O A:HOH768 2.3 31.9 1.0 O A:HOH626 2.5 29.9 1.0 OD2 A:ASP47 2.5 31.0 1.0 OD1 A:ASP47 2.5 31.6 1.0 CG A:ASP47 2.8 30.3 1.0 H A:SER249 3.9 26.1 1.0 HA A:PHE45 4.1 23.6 1.0 O A:PHE45 4.3 22.3 1.0 CB A:ASP47 4.4 26.3 1.0 O A:HOH905 4.6 47.8 0.5 O A:HOH659 4.6 49.8 1.0 O A:HOH923 4.7 29.7 0.5 HA A:SER248 4.7 32.7 0.3 HA A:SER249 4.7 23.9 1.0 N A:SER249 4.7 21.8 1.0 O A:HOH872 4.8 35.0 1.0 HB2 A:ASP47 4.8 31.6 1.0 C A:PHE45 4.8 19.9 1.0 O A:MET247 4.8 23.6 1.0 HA A:SER248 4.8 32.9 0.7 HB3 A:ASP47 4.8 31.6 1.0 O A:HOH796 4.8 29.1 1.0 O A:GLU44 4.8 21.2 1.0 HA A:ASP47 4.9 28.6 1.0 HD1 A:PHE45 4.9 26.4 1.0 CA A:PHE45 4.9 19.6 1.0

Calcium binding site 2 out of 2 in the IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of IFIT1 Monomeric Mutant (L457E/L464E) with M7GPPP-Aaaa (Syn and Anti Conformations of Cap) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:40.8 occ:0.77 OE1 A:GLU77 2.3 41.7 1.0 O A:HOH861 2.4 51.7 1.0 O A:HOH914 2.6 49.6 1.0 OE2 A:GLU77 2.8 52.2 1.0 O A:HOH908 2.8 44.3 1.0 CD A:GLU77 2.9 44.0 1.0 O A:HOH700 4.1 27.6 1.0 CG A:GLU77 4.4 35.6 1.0 HE1 A:HIS55 4.4 26.0 1.0 HB2 A:GLU77 4.7 33.7 1.0 HG3 A:GLU77 4.8 42.8 1.0 HG2 A:GLU77 4.9 42.8 1.0

Y.M.Abbas, B.T.Laudenbach, S.Martinez-Montero, R.Cencic, M.Habjan, A.Pichlmair, M.J.Damha, J.Pelletier, B.Nagar. Structure of Human IFIT1 with Capped Rna Reveals Adaptable Mrna Binding and Mechanisms For Sensing N1 and N2 Ribose 2'-O Methylations. Proc. Natl. Acad. Sci. V. 114 E2106 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28251928
DOI: 10.1073/PNAS.1612444114