Iodine in PDB 1ujk: Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace

The structure of Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace, PDB code: 1ujk was solved by T.Shiba, S.Kametaka, M.Kawasaki, M.Shibata, S.Waguri, Y.Uchiyama, S.Wakatsuki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.545, 72.308, 103.130, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.5

The binding sites of Iodine atom in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace (pdb code 1ujk). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace, PDB code: 1ujk:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace within 5.0Å range: probe atom residue distance (Å) B Occ A:I148 b:58.4 occ:1.00 O A:HOH156 3.1 35.8 1.0 NE2 A:GLN59 3.2 25.8 1.0 CD A:PRO58 3.6 22.7 1.0 CG A:PRO58 4.1 25.9 1.0 CD A:GLN59 4.2 25.2 1.0 CG A:GLN59 4.3 25.0 1.0 OG A:SER57 4.5 20.2 1.0 CB A:PRO58 4.6 23.3 1.0 N A:PRO58 4.8 22.8 1.0 OE2 A:GLU62 4.9 20.1 1.0

Iodine binding site 2 out of 6 in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace within 5.0Å range: probe atom residue distance (Å) B Occ A:I149 b:42.0 occ:1.00 CD2 A:LEU50 3.5 22.8 1.0 ND1 A:HIS53 3.6 21.5 1.0 O A:LEU50 3.7 19.3 1.0 CA A:LEU50 3.9 20.4 1.0 CE A:LYS54 3.9 20.1 1.0 CB A:LEU50 4.0 19.5 1.0 CB A:HIS53 4.0 20.7 1.0 C A:LEU50 4.2 19.2 1.0 CG A:HIS53 4.2 19.6 1.0 CG A:LYS54 4.3 19.2 1.0 CD A:LYS54 4.4 18.4 1.0 CG A:LEU50 4.4 20.6 1.0 NZ A:LYS54 4.6 18.4 1.0 CE1 A:HIS53 4.7 22.6 1.0 N A:LYS54 4.9 17.9 1.0

Iodine binding site 3 out of 6 in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace within 5.0Å range: probe atom residue distance (Å) B Occ A:I150 b:69.6 occ:1.00 NZ A:LYS96 3.8 36.0 1.0 CE A:LYS96 4.9 34.4 1.0

Iodine binding site 4 out of 6 in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace within 5.0Å range: probe atom residue distance (Å) B Occ B:I148 b:53.7 occ:1.00 NE2 B:GLN137 3.1 37.0 1.0 OE1 B:GLN137 4.0 38.1 1.0 CD B:GLN137 4.0 35.2 1.0 CD B:LYS140 4.0 39.5 1.0 CD B:LYS141 4.1 30.7 1.0 CA B:LYS141 4.2 26.9 1.0 CG B:LYS140 4.2 35.8 1.0 N B:LYS141 4.3 25.9 1.0 CB B:LYS141 4.6 27.5 1.0 C B:LYS140 4.6 26.7 1.0 CB B:LYS140 4.7 29.0 1.0 O B:LYS140 4.8 25.9 1.0 O B:GLN137 4.9 22.8 1.0 CG B:LYS141 5.0 29.1 1.0

Iodine binding site 5 out of 6 in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace within 5.0Å range: probe atom residue distance (Å) B Occ B:I149 b:29.6 occ:1.00 OD1 B:ASN38 3.6 33.0 1.0 N B:GLY78 3.6 23.1 1.0 O B:HOH198 3.7 37.7 1.0 N B:PHE81 3.8 20.9 1.0 CB B:ARG80 3.9 28.8 1.0 CB B:PHE81 4.0 18.8 1.0 NH2 B:ARG80 4.0 45.5 1.0 CB B:CYS77 4.0 24.5 1.0 CA B:GLY78 4.2 22.9 1.0 CZ B:ARG80 4.2 44.2 1.0 CD1 B:LEU37 4.2 19.6 1.0 NE B:ARG80 4.2 42.1 1.0 CA B:ASN38 4.2 30.3 1.0 C B:GLY78 4.3 22.9 1.0 O B:GLY78 4.3 22.9 1.0 CB B:ASN38 4.3 28.8 1.0 CG B:ASN38 4.4 29.7 1.0 N B:ARG80 4.4 22.8 1.0 SG B:CYS77 4.4 26.6 1.0 CA B:PHE81 4.5 19.0 1.0 CA B:ARG80 4.5 24.1 1.0 CG B:PRO44 4.6 27.2 1.0 C B:ARG80 4.6 23.7 1.0 C B:CYS77 4.6 21.1 1.0 CA B:CYS77 4.8 20.7 1.0 NH1 B:ARG80 4.9 44.0 1.0 SG A:CYS77 4.9 38.2 1.0 CG B:ARG80 4.9 33.7 1.0 N B:LYS79 5.0 22.6 1.0 N B:ASN38 5.0 27.5 1.0

Iodine binding site 6 out of 6 in the Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Vhs Domain of Human GGA1 Complexed with C-Terminal Phosphopeptide From Bace within 5.0Å range: probe atom residue distance (Å) B Occ B:I150 b:68.4 occ:1.00 O B:HOH196 3.1 42.2 1.0 CD1 B:TRP122 3.9 18.4 1.0 CG B:LEU126 4.2 23.4 1.0 CD1 B:LEU126 4.2 22.5 1.0 O B:HOH193 4.4 21.0 1.0 NE1 B:TRP122 4.5 18.6 1.0 CA B:GLY125 4.6 20.4 1.0 CG B:LYS75 4.6 26.5 1.0 O B:MET74 4.6 20.7 1.0 O B:HOH264 4.6 31.3 1.0 C B:GLY125 4.7 20.9 1.0 O B:SER121 4.8 18.7 1.0 CA B:LYS75 4.8 21.7 1.0 C B:MET74 4.9 18.9 1.0 CA B:TRP122 4.9 16.9 1.0 O B:HOH288 4.9 31.0 1.0 O B:GLY125 4.9 20.9 1.0 CG B:TRP122 5.0 17.4 1.0 CD2 B:LEU126 5.0 19.1 1.0

T.Shiba, S.Kametaka, M.Kawasaki, M.Shibata, S.Waguri, Y.Uchiyama, S.Wakatsuki. Insights Into the Phosphoregulation of Beta-Secretase Sorting Signal By the Vhs Domain of GGA1 Traffic V. 5 437 2004.
ISSN: ISSN 1398-9219
PubMed: 15117318
DOI: 10.1111/J.1600-0854.2004.00188.X