Iodine in PDB 2xvs: Crystal Structure of Human TTC5 (Strap) C-Terminal Ob Domain

The structure of Crystal Structure of Human TTC5 (Strap) C-Terminal Ob Domain, PDB code: 2xvs was solved by J.Adams, A.C.W.Pike, S.Maniam, T.D.Sharpe, A.S.Coutts, S.Knapp, B.La Thangue, A.N.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.77 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	30.260, 62.390, 78.770, 90.00, 90.00, 90.00
R / Rfree (%)	17.242 / 23.638

The structure of Crystal Structure of Human TTC5 (Strap) C-Terminal Ob Domain also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the Crystal Structure of Human TTC5 (Strap) C-Terminal Ob Domain (pdb code 2xvs). 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 Human TTC5 (Strap) C-Terminal Ob Domain, PDB code: 2xvs:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of Human TTC5 (Strap) C-Terminal Ob Domain


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 Human TTC5 (Strap) C-Terminal Ob Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I1425 b:16.9 occ:1.00 O A:HOH2110 3.6 11.3 1.0 N A:GLN374 3.6 13.4 1.0 OE1 A:GLN374 3.7 18.2 1.0 N A:VAL373 3.7 10.6 1.0 CG A:PRO413 3.9 11.1 1.0 CB A:GLN374 4.0 15.4 1.0 CG A:GLN374 4.1 19.2 1.0 CB A:VAL373 4.3 13.6 1.0 CD A:GLN374 4.3 18.1 1.0 O A:ASN371 4.4 10.2 1.0 CA A:VAL373 4.4 12.3 1.0 CA A:GLN374 4.4 14.5 1.0 CD A:PRO413 4.5 8.0 1.0 CD2 A:LEU414 4.5 14.3 1.0 CG A:LEU414 4.5 13.3 1.0 C A:VAL373 4.5 13.3 1.0 CA A:ILE372 4.6 8.8 1.0 C A:ILE372 4.7 14.0 1.0 OG1 A:THR412 4.9 11.9 1.0 CD1 A:LEU414 4.9 14.8 1.0 C A:GLN374 5.0 13.9 1.0 CG2 A:VAL373 5.0 13.1 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of Human TTC5 (Strap) C-Terminal Ob Domain


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 Human TTC5 (Strap) C-Terminal Ob Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I1428 b:16.8 occ:1.00 O A:HOH2090 3.9 16.6 1.0 ND1 A:HIS394 3.9 14.7 1.0 CE1 A:HIS394 4.2 13.7 1.0 CB A:ARG392 4.4 15.5 1.0 CD A:ARG392 4.5 12.1 1.0 O A:LEU393 4.6 14.7 1.0 CG A:ARG392 4.8 9.8 1.0 O A:HOH2087 4.9 40.4 1.0 CG A:HIS394 4.9 17.6 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of Human TTC5 (Strap) C-Terminal Ob Domain


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 Human TTC5 (Strap) C-Terminal Ob Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:I1429 b:32.0 occ:0.50 CG A:LYS287 4.2 61.5 1.0 CE A:LYS287 4.4 80.8 1.0 NZ A:LYS287 4.5 77.8 1.0 CD A:LYS287 4.6 68.2 1.0 CB A:LYS287 4.8 34.2 1.0 O A:HOH2021 4.9 36.7 1.0

C.J.Adams, A.C.Pike, S.Maniam, T.D.Sharpe, A.S.Coutts, S.Knapp, N.B.La Thangue, A.N.Bullock. The P53 Cofactor Strap Exhibits An Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure. Proc.Natl.Acad.Sci.Usa V. 109 3778 2012.
ISSN: ISSN 0027-8424
PubMed: 22362889
DOI: 10.1073/PNAS.1113731109