Iodine in PDB 8dc5: Cchfv GP38 Hoti/Kosovo

The structure of Cchfv GP38 Hoti/Kosovo, PDB code: 8dc5 was solved by I.A.Durie, E.Bergeron, S.D.Pegan, J.Mcguire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.16 / 3.21
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	171.633, 75.322, 62.218, 90, 110.41, 90
R / Rfree (%)	27.5 / 30.3

The binding sites of Iodine atom in the Cchfv GP38 Hoti/Kosovo (pdb code 8dc5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Cchfv GP38 Hoti/Kosovo, PDB code: 8dc5:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Cchfv GP38 Hoti/Kosovo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Cchfv GP38 Hoti/Kosovo within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:158.7 occ:1.00 OG A:SER349 3.2 183.9 1.0 CB A:ASN320 3.7 87.6 1.0 CG A:GLU321 3.8 134.2 1.0 OE2 A:GLU321 3.8 124.6 1.0 N A:TYR350 3.9 133.7 1.0 N A:GLU321 3.9 104.2 1.0 CA A:ASN320 4.0 103.2 1.0 CD A:GLU321 4.2 128.9 1.0 N A:SER349 4.4 140.9 1.0 CB A:SER349 4.5 166.8 1.0 CD1 A:PHE347 4.5 103.7 1.0 C A:ASN320 4.5 101.4 1.0 CA A:TYR350 4.5 124.1 1.0 CA A:PHE347 4.5 114.5 1.0 C A:PHE347 4.7 125.6 1.0 N A:PHE351 4.7 130.5 1.0 C A:SER349 4.7 146.3 1.0 CB A:GLU321 4.7 109.1 1.0 CA A:SER349 4.8 154.4 1.0 CB A:PHE347 4.8 93.4 1.0 CA A:GLU321 5.0 87.2 1.0

Iodine binding site 2 out of 4 in the Cchfv GP38 Hoti/Kosovo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Cchfv GP38 Hoti/Kosovo within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:189.3 occ:1.00 N A:GLU414 3.6 135.5 1.0 CB A:GLU414 3.8 125.9 1.0 N A:LYS413 3.9 134.5 1.0 CG A:GLU414 3.9 134.4 1.0 O B:SER349 4.0 122.8 1.0 CD A:GLU414 4.1 126.8 1.0 CB A:PHE412 4.2 128.7 1.0 CA A:PHE412 4.3 130.3 1.0 C A:PHE412 4.3 127.8 1.0 CA A:GLU414 4.3 120.7 1.0 OE2 A:GLU414 4.4 139.2 1.0 C A:LYS413 4.4 130.5 1.0 CD2 B:TYR350 4.5 118.2 1.0 OE1 A:GLU414 4.5 128.1 1.0 CA A:LYS413 4.5 133.3 1.0 NZ B:LYS348 4.6 155.2 1.0 CB A:LYS413 4.6 134.3 1.0 CD1 A:PHE412 4.7 135.2 1.0 CB B:TYR350 4.9 92.0 1.0 C B:SER349 4.9 109.2 1.0 O B:LYS348 4.9 136.0 1.0

Iodine binding site 3 out of 4 in the Cchfv GP38 Hoti/Kosovo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Cchfv GP38 Hoti/Kosovo within 5.0Å range: probe atom residue distance (Å) B Occ B:I603 b:154.9 occ:1.00 OE1 B:GLU321 3.1 170.2 1.0 OG B:SER349 3.2 167.1 1.0 N B:TYR350 3.7 105.0 1.0 CB B:ASN320 3.8 112.9 1.0 CA B:PHE347 4.0 109.0 1.0 CD B:GLU321 4.1 155.2 1.0 OE2 B:GLU321 4.2 133.4 1.0 N B:SER349 4.3 140.1 1.0 N B:PHE351 4.3 115.1 1.0 C B:PHE347 4.3 132.1 1.0 CA B:TYR350 4.3 111.5 1.0 CD1 B:PHE347 4.3 95.7 1.0 CB B:SER349 4.4 148.9 1.0 CB B:PHE347 4.4 105.6 1.0 O B:PRO346 4.5 112.8 1.0 CA B:ASN320 4.5 115.0 1.0 C B:SER349 4.6 109.2 1.0 CA B:SER349 4.6 137.2 1.0 N B:LYS348 4.6 133.7 1.0 O B:PHE347 4.8 138.7 1.0 CG B:PHE347 4.9 101.5 1.0 C B:TYR350 4.9 121.3 1.0 N B:GLU321 4.9 115.4 1.0

Iodine binding site 4 out of 4 in the Cchfv GP38 Hoti/Kosovo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Cchfv GP38 Hoti/Kosovo within 5.0Å range: probe atom residue distance (Å) B Occ B:I604 b:179.0 occ:1.00 CB B:LEU503 3.6 137.3 1.0 N B:LEU503 4.2 141.3 1.0 CD2 B:LEU503 4.4 165.0 1.0 CA B:LEU503 4.5 136.2 1.0 CG B:LEU503 4.6 153.2 1.0

I.A.Durie, Z.R.Tehrani, E.Karaaslan, T.E.Sorvillo, J.Mcguire, J.W.Golden, S.R.Welch, M.H.Kainulainen, J.R.Harmon, J.J.Mousa, D.Gonzalez, S.Enos, I.Koksal, G.Yilmaz, H.N.Karakoc, S.Hamidi, C.Albay, J.R.Spengler, C.F.Spiropoulou, A.R.Garrison, M.M.Sajadi, E.Bergeron, S.D.Pegan. Structural Characterization of Protective Non-Neutralizing Antibodies Targeting Crimean-Congo Hemorrhagic Fever Virus. Nat Commun V. 13 7298 2022.
ISSN: ESSN 2041-1723
PubMed: 36435827
DOI: 10.1038/S41467-022-34923-0