Zinc in PDB 8epv: 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7

The structure of 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7, PDB code: 8epv was solved by J.Min, L.C.Pedersen, M.A.Geoffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.40 / 2.19
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.871, 85.871, 40.056, 90, 90, 90
R / Rfree (%)	24.1 / 26.5

The binding sites of Zinc atom in the 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7 (pdb code 8epv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7, PDB code: 8epv:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn203 b:28.9 occ:0.46 OE1 A:GLU143 2.0 54.3 1.0 OE1 A:GLU146 2.0 41.4 1.0 O A:HOH310 2.4 34.1 1.0 O A:HOH313 2.5 25.7 1.0 O A:HOH328 2.5 38.1 0.3 O A:HOH315 2.8 41.2 0.5 CD A:GLU143 3.1 51.3 1.0 CD A:GLU146 3.2 45.5 1.0 OE2 A:GLU143 3.6 49.4 1.0 HB2 A:GLU146 3.7 41.0 1.0 HA A:GLU143 3.8 41.9 1.0 OE2 A:GLU146 3.9 48.0 1.0 HB3 A:GLU146 3.9 41.0 1.0 ZN A:ZN205 3.9 44.6 0.5 HB3 A:GLU143 4.0 50.7 1.0 CB A:GLU146 4.1 36.1 1.0 CG A:GLU146 4.2 52.6 1.0 CG A:GLU143 4.3 56.5 1.0 OE1 A:GLU110 4.3 42.7 1.0 CB A:GLU143 4.5 41.9 1.0 CA A:GLU143 4.6 36.9 1.0 HG3 A:GLU143 4.7 68.3 1.0 HG2 A:GLU146 4.7 63.6 1.0 HG3 A:GLU146 4.9 63.6 1.0 O A:GLU143 4.9 35.5 1.0 HD22 A:ASN147 5.0 42.3 1.0

Zinc binding site 2 out of 3 in the 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn204 b:37.6 occ:0.33 OD2 A:ASP113 2.3 38.5 1.0 OD2 A:ASP137 2.4 43.4 1.0 O A:HOH307 2.7 43.2 0.9 CG A:ASP113 3.4 38.0 1.0 CG A:ASP137 3.5 49.4 1.0 HB3 A:ASP137 3.8 41.3 1.0 HE1 A:HIS114 4.0 41.4 1.0 OD1 A:ASP113 4.1 40.2 1.0 CB A:ASP137 4.2 34.0 1.0 HB2 A:ARG136 4.2 38.1 1.0 HB2 A:ASP113 4.4 41.3 1.0 OD1 A:ASP137 4.4 42.1 1.0 O A:HOH311 4.4 37.5 1.0 CB A:ASP113 4.4 36.4 1.0 HB3 A:ASP113 4.6 41.3 1.0 H A:ASP137 4.7 45.0 1.0 HB2 A:ASP137 4.8 41.3 1.0 CE1 A:HIS114 4.9 34.1 1.0 N A:ASP137 4.9 37.1 1.0

Zinc binding site 3 out of 3 in the 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 2.2 A Crystal Structure of the Lipocalin Cat Allergen Fel D 7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn205 b:44.6 occ:0.52 OE2 A:GLU142 2.0 55.0 1.0 OE2 A:GLU143 2.0 49.4 1.0 OE2 A:GLU146 2.1 48.0 1.0 CD A:GLU146 2.9 45.5 1.0 O A:HOH326 2.9 56.9 1.0 OE1 A:GLU146 3.0 41.4 1.0 CD A:GLU142 3.0 58.8 1.0 OXT A:ACT201 3.0 74.7 1.0 HG2 A:GLU142 3.0 62.8 1.0 CD A:GLU143 3.1 51.3 1.0 CG A:GLU142 3.4 51.9 1.0 HG3 A:GLU142 3.4 62.8 1.0 OE1 A:GLU143 3.5 54.3 1.0 C A:ACT201 3.7 81.3 1.0 ZN A:ZN203 3.9 28.9 0.5 O A:ACT201 3.9 64.2 1.0 OE1 A:GLU142 4.2 60.1 1.0 O A:HOH312 4.2 79.2 1.0 CG A:GLU146 4.3 52.6 1.0 HG2 A:GLU143 4.3 68.3 1.0 CG A:GLU143 4.4 56.5 1.0 HA A:GLU143 4.5 41.9 1.0 HG3 A:GLU146 4.5 63.6 1.0 H1 A:ACT201 4.6 73.5 1.0 O A:HOH310 4.6 34.1 1.0 HG2 A:GLU146 4.6 63.6 1.0 CH3 A:ACT201 4.7 60.8 1.0 H2 A:ACT201 4.8 73.5 1.0 CB A:GLU142 4.9 46.7 1.0 HG3 A:GLU143 4.9 68.3 1.0

J.Min, A.C.Y.Foo, S.A.Gabel, L.Perera, E.F.Derose, A.Pomes, L.C.Pedersen, G.A.Mueller. Structural and Ligand Binding Analysis of the Pet Allergens Can F 1 and Fel D 7. Front Allergy V. 4 33412 2023.
ISSN: ESSN 2673-6101
PubMed: 36960093
DOI: 10.3389/FALGY.2023.1133412