Iodine in PDB 8ua5: Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776)

The structure of Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776), PDB code: 8ua5 was solved by S.Lovell, M.Kashipathy, K.P.Battaile, A.Cooper, D.Davido, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.45 / 2.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.15, 97.15, 76.721, 90, 90, 90
R / Rfree (%)	19.2 / 25.4

The structure of Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776) (pdb code 8ua5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776), PDB code: 8ua5:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776) within 5.0Å range: probe atom residue distance (Å) B Occ A:I802 b:58.7 occ:1.00 NH1 A:ARG694 3.6 43.7 1.0 CG B:ARG642 4.1 49.7 1.0 CA A:ALA698 4.1 51.4 1.0 CD B:ARG642 4.1 51.5 1.0 N A:ALA698 4.2 55.0 1.0 CD A:ARG694 4.2 48.6 1.0 CB A:ALA698 4.3 41.8 1.0 NE B:ARG642 4.3 56.3 1.0 C A:ALA697 4.3 43.3 1.0 O A:ALA697 4.4 47.6 1.0 CB A:ALA697 4.4 37.7 1.0 CZ A:ARG694 4.4 38.1 1.0 NE A:ARG694 4.7 40.0 1.0 O A:ARG694 4.9 40.4 1.0 CB B:ARG642 4.9 40.4 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776) within 5.0Å range: probe atom residue distance (Å) B Occ A:I803 b:71.5 occ:1.00 CA A:TRP702 3.9 50.5 1.0 CG1 A:VAL699 4.1 43.4 1.0 N A:TRP702 4.1 50.2 1.0 CB A:TRP702 4.2 42.3 1.0 CG A:ARG705 4.3 54.6 1.0 CB B:PRO657 4.3 45.6 1.0 CB A:ARG705 4.3 51.4 1.0 CG B:PRO657 4.4 43.9 1.0 C A:GLY701 4.5 55.6 1.0 CD1 A:TRP702 4.5 43.2 1.0 CG2 B:VAL659 4.6 48.3 1.0 CD B:PRO657 4.7 46.1 1.0 O A:GLY701 4.7 55.0 1.0 CG A:TRP702 4.8 42.1 1.0 O B:PRO657 5.0 60.6 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Infected Cell Protein 0 (ICP0) From Herpes Simplex Virus 1 (A636-Q776) within 5.0Å range: probe atom residue distance (Å) B Occ B:I802 b:45.3 occ:1.00 NH1 B:ARG705 3.3 45.4 1.0 O A:HOH927 3.6 43.5 1.0 CA B:TRP702 3.9 41.8 1.0 CB B:TRP702 4.0 45.9 1.0 CG1 B:VAL699 4.1 45.6 1.0 N B:TRP702 4.1 43.1 1.0 CG A:PRO657 4.1 41.1 1.0 CD B:ARG705 4.2 44.1 1.0 C B:GLY701 4.4 47.8 1.0 CZ B:ARG705 4.5 46.9 1.0 CD1 B:TRP702 4.5 36.6 1.0 O B:GLY701 4.5 45.7 1.0 CG B:TRP702 4.7 38.3 1.0 NE B:ARG705 4.8 51.0 1.0 CB B:ARG705 4.9 46.2 1.0 CD A:PRO657 5.0 39.9 1.0 O A:PRO657 5.0 42.9 1.0 CG B:ARG705 5.0 39.4 1.0

E.Mccloskey, M.Kashipathy, A.Cooper, P.Gao, D.K.Johnson, K.P.Battaile, S.Lovell, D.J.Davido. Hsv-1 ICP0 Dimer Domain Adopts A Novel Beta-Barrel Fold. Proteins 2024.
ISSN: ESSN 1097-0134
PubMed: 38372168
DOI: 10.1002/PROT.26673