Calcium in PDB 2ejn: Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1

The structure of Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1, PDB code: 2ejn was solved by L.Kaiser, T.C.Velickovic, D.Badia-Martinez, J.Adedoyin, S.Thunberg, D.Hallen, K.Berndt, H.Gronlund, G.Gafvelin, M.Van Hage, A.Achour, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.51 / 1.64
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.588, 42.996, 48.906, 70.80, 80.56, 81.53
R / Rfree (%)	19 / 22

The binding sites of Calcium atom in the Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1 (pdb code 2ejn). 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 Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1, PDB code: 2ejn:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:22.6 occ:1.00 O A:MET49 2.3 7.8 1.0 O A:HOH1092 2.4 24.3 1.0 O A:ASP46 2.4 10.8 1.0 O A:HOH1057 2.4 20.2 1.0 O A:HOH1081 2.4 22.4 1.0 C A:MET49 3.5 8.9 1.0 C A:ASP46 3.5 10.2 1.0 CA A:THR50 4.1 8.4 1.0 N A:THR50 4.2 7.8 1.0 CA A:ASP46 4.3 9.8 1.0 OE1 A:GLU51 4.5 18.4 1.0 C A:THR50 4.5 7.9 1.0 CA A:MET49 4.6 8.6 1.0 N A:ALA47 4.6 9.5 1.0 N A:MET49 4.6 9.1 1.0 O A:HOH1048 4.6 17.6 1.0 O A:HOH1034 4.7 17.6 1.0 O A:HOH1103 4.7 31.4 1.0 O A:ALA47 4.7 9.8 1.0 C A:ALA47 4.7 9.8 1.0 CA A:ALA47 4.7 9.5 1.0 CE A:LYS54 4.8 10.2 1.0 N A:GLU51 4.9 8.0 1.0 O A:VAL45 4.9 9.1 1.0 O A:THR50 5.0 7.8 1.0 O A:HOH1038 5.0 26.2 1.0 CB A:ASP46 5.0 9.9 1.0

Calcium binding site 2 out of 4 in the Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:25.4 occ:1.00 OE1 A:GLU52 2.6 18.9 1.0 OE2 A:GLU52 2.7 17.1 1.0 CD A:GLU52 3.0 16.6 1.0 CG A:GLU52 4.6 11.8 1.0 O A:HOH1056 4.7 29.6 1.0 O A:HOH1016 4.8 26.3 1.0

Calcium binding site 3 out of 4 in the Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:29.1 occ:1.00 O A:ILE125 2.2 17.2 1.0 OD1 B:ASP130 2.2 16.4 1.0 O A:HOH1032 2.3 26.0 1.0 O B:HOH1064 2.4 23.6 1.0 OD1 A:ASN89 2.4 13.4 1.0 O B:HOH1043 2.5 28.3 1.0 OD1 B:ASN89 2.7 12.1 1.0 CG B:ASP130 3.3 16.0 1.0 C A:ILE125 3.5 17.3 1.0 CG A:ASN89 3.6 14.5 1.0 OD2 B:ASP130 3.8 15.2 1.0 CG B:ASN89 3.8 10.3 1.0 O A:HOH1099 4.1 28.8 1.0 O B:ILE125 4.2 21.5 1.0 O B:VAL128 4.2 16.9 1.0 CG2 A:ILE125 4.3 18.2 1.0 CA A:SER126 4.3 16.7 1.0 ND2 B:ASN89 4.3 9.9 1.0 N A:SER126 4.4 16.6 1.0 CB B:ASP130 4.4 16.1 1.0 CA A:ILE125 4.4 17.2 1.0 O A:HOH1112 4.5 21.9 1.0 ND2 A:ASN89 4.5 16.2 1.0 CB A:ASN89 4.6 11.9 1.0 O A:ARG127 4.7 15.4 1.0 CG2 B:VAL128 4.8 17.5 1.0 N B:ASP130 4.8 16.8 1.0 N A:ARG127 4.9 15.9 1.0

Calcium binding site 4 out of 4 in the Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1004 b:25.9 occ:1.00 O B:ASP46 2.3 8.9 1.0 O B:MET49 2.4 7.1 1.0 O B:HOH1130 2.7 27.8 1.0 C B:ASP46 3.5 8.6 1.0 C B:MET49 3.5 7.6 1.0 O B:HOH1031 3.6 18.6 1.0 O B:HOH1089 3.7 26.5 1.0 O B:ALA47 4.3 9.3 1.0 CA B:THR50 4.3 7.7 1.0 N B:THR50 4.3 7.5 1.0 C B:ALA47 4.3 8.5 1.0 CA B:ALA47 4.4 8.4 1.0 N B:ALA47 4.4 8.0 1.0 CA B:ASP46 4.4 7.8 1.0 N B:MET49 4.5 8.0 1.0 CA B:MET49 4.5 8.0 1.0 C B:THR50 4.7 8.6 1.0 O B:VAL45 4.9 7.4 1.0 N B:LYS48 5.0 8.5 1.0

L.Kaiser, T.C.Velickovic, D.Badia-Martinez, J.Adedoyin, S.Thunberg, D.Hallen, K.Berndt, H.Gronlund, G.Gafvelin, M.Van Hage, A.Achour. Structural Characterization of the Tetrameric Form of the Major Cat Allergen Fel D 1 J.Mol.Biol. V. 370 714 2007.
ISSN: ISSN 0022-2836
PubMed: 17543334
DOI: 10.1016/J.JMB.2007.04.074