Iodine in PDB 6gaj: Crystal Structure of the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide)

The structure of Crystal Structure of the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide), PDB code: 6gaj was solved by M.H.Dietrich, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.73 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.700, 37.590, 89.720, 90.00, 100.53, 90.00
R / Rfree (%)	17.5 / 20.3

The structure of Crystal Structure of the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide) also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iodine atom in the Crystal Structure of the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide) (pdb code 6gaj). 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 the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide), PDB code: 6gaj:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide)


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 the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide) within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:9.5 occ:0.43 ND2 C:ASN38 3.2 9.7 1.0 ND2 A:ASN38 3.3 9.4 1.0 ND2 B:ASN38 3.3 10.3 1.0 CB C:ASN38 3.9 8.5 1.0 CB A:ASN38 4.0 8.9 1.0 CG2 C:VAL35 4.0 10.6 1.0 CG2 A:VAL35 4.0 10.4 1.0 CB B:ASN38 4.0 10.0 1.0 CG2 B:VAL35 4.0 13.1 1.0 CG C:ASN38 4.1 9.7 1.0 CA C:VAL35 4.1 7.8 1.0 CA B:VAL35 4.1 11.5 1.0 CG A:ASN38 4.1 11.1 1.0 CG B:ASN38 4.2 10.7 1.0 CA A:VAL35 4.2 9.6 1.0 CG1 B:VAL35 4.2 12.3 1.0 CG1 C:VAL35 4.3 9.0 1.0 CG1 A:VAL35 4.3 11.7 1.0 CB C:VAL35 4.4 9.4 1.0 CB B:VAL35 4.4 13.7 1.0 CB A:VAL35 4.4 10.1 1.0 O C:VAL35 4.6 9.2 1.0 O A:VAL35 4.7 9.9 1.0 O B:VAL35 4.7 13.1 1.0 C C:VAL35 4.9 9.1 1.0 C B:VAL35 5.0 14.9 1.0 C A:VAL35 5.0 9.6 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide)


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 the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide) within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:8.0 occ:0.85 ND2 A:ASN94 3.6 8.7 1.0 ND2 C:ASN94 3.6 10.8 1.0 ND2 B:ASN94 3.6 9.3 1.0 CB C:ASN94 3.9 8.4 1.0 CB B:ASN94 3.9 8.1 1.0 CB A:ASN94 4.0 8.4 1.0 CG2 A:VAL91 4.2 8.8 1.0 CG2 B:VAL91 4.2 11.4 1.0 CG C:ASN94 4.3 11.2 1.0 CG A:ASN94 4.3 9.0 1.0 CG B:ASN94 4.3 9.3 1.0 CG1 A:VAL91 4.3 11.2 1.0 CG2 C:VAL91 4.3 10.1 1.0 CA B:VAL91 4.4 8.4 1.0 CA C:VAL91 4.4 8.1 1.0 CG1 C:VAL91 4.4 10.6 1.0 CA A:VAL91 4.5 9.1 1.0 CG1 B:VAL91 4.5 10.7 1.0 CB A:VAL91 4.6 10.3 1.0 CB B:VAL91 4.6 10.4 1.0 CB C:VAL91 4.7 10.1 1.0 O C:VAL91 4.8 9.7 1.0 O A:VAL91 4.9 11.1 1.0 O B:VAL91 4.9 10.1 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide)


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 the T1L Reovirus SIGMA1 Coiled Coil Tail (Iodide) within 5.0Å range: probe atom residue distance (Å) B Occ C:I201 b:8.5 occ:0.60 O C:HOH423 3.5 9.7 1.0 OG1 C:THR85 3.8 13.5 1.0 CA C:SER82 3.9 7.9 1.0 O C:SER81 4.0 9.1 1.0 N C:SER82 4.1 8.5 1.0 C C:SER81 4.1 8.9 1.0 CB C:THR85 4.2 10.5 1.0 O C:HOH453 4.3 12.1 1.0 CB C:SER81 4.4 10.4 1.0 CB C:SER82 4.6 9.4 1.0 O C:HOH353 4.6 8.7 1.0 CG2 C:THR85 4.6 13.4 1.0 CA C:SER81 5.0 7.8 1.0

M.H.Dietrich, K.M.Ogden, J.M.Long, R.Ebenhoch, A.Thor, T.S.Dermody, T.Stehle. Structural and Functional Features of the Reovirus Sigma 1 Tail. J. Virol. V. 92 2018.
ISSN: ESSN 1098-5514
PubMed: 29695426
DOI: 10.1128/JVI.00336-18