Iodine in PDB 3g2t: Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide

The structure of Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide, PDB code: 3g2t was solved by J.F.Cramer, M.A.Behrens, C.Gustafsen, C.L.P.Oliveira, J.S.Pedersen, P.Madsen, C.M.Petersen, S.S.Thirup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.50 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.800, 68.300, 100.600, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.3

The binding sites of Iodine atom in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide (pdb code 3g2t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide, PDB code: 3g2t:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


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 Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I148 b:28.1 occ:0.50 O B:HOH157 3.4 34.8 1.0 NE2 B:GLN59 3.6 36.2 1.0 CD2 A:LEU50 3.6 21.1 1.0 ND1 A:HIS53 3.7 29.5 1.0 O A:LEU50 3.8 21.1 1.0 CD B:PRO58 3.8 35.4 1.0 CE A:LYS54 3.8 25.6 1.0 CA A:LEU50 4.0 21.0 1.0 CB A:HIS53 4.0 27.9 1.0 CG B:PRO58 4.1 38.0 1.0 CB A:LEU50 4.2 20.3 1.0 CG A:HIS53 4.2 28.5 1.0 CD A:LYS54 4.3 21.0 1.0 C A:LEU50 4.3 21.1 1.0 CG B:GLN59 4.3 33.5 1.0 CG A:LYS54 4.4 16.4 1.0 CD B:GLN59 4.5 35.7 1.0 OG B:SER57 4.5 29.1 1.0 CB B:PRO58 4.5 38.5 1.0 CG A:LEU50 4.5 20.3 1.0 NZ A:LYS54 4.7 28.1 1.0 CE1 A:HIS53 4.8 25.3 1.0 N B:PRO58 4.8 35.9 1.0 N A:LYS54 4.8 20.0 1.0 CG2 A:ILE14 5.0 24.9 1.0

Iodine binding site 2 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


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 Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I149 b:19.7 occ:0.50 NZ A:LYS110 3.5 24.6 1.0 O A:HOH161 3.7 21.2 1.0 CD A:LYS110 4.1 24.3 1.0 CE A:LYS110 4.2 20.0 1.0 CG2 A:ILE64 4.5 16.2 1.0 CZ3 A:TRP61 4.6 20.3 1.0 CE3 A:TRP61 4.7 21.7 1.0 OE1 A:GLU60 4.8 26.6 1.0

Iodine binding site 3 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


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 Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I150 b:39.4 occ:0.50 NE2 A:GLN59 3.2 24.3 1.0 CD2 B:LEU50 3.4 24.3 1.0 O B:LEU50 3.5 25.8 1.0 CG A:PRO58 3.6 27.9 1.0 ND1 B:HIS53 3.6 23.6 1.0 CA B:LEU50 3.7 24.0 1.0 CD A:PRO58 3.8 24.3 1.0 CE B:LYS54 3.8 26.4 1.0 CB B:HIS53 3.9 26.3 1.0 CB B:LEU50 4.0 24.1 1.0 C B:LEU50 4.0 25.1 1.0 CD A:GLN59 4.2 25.9 1.0 CG A:GLN59 4.2 21.3 1.0 CG B:HIS53 4.2 24.0 1.0 CD B:LYS54 4.3 25.6 1.0 CG B:LEU50 4.4 25.4 1.0 CG B:LYS54 4.4 26.0 1.0 OG A:SER57 4.5 24.2 1.0 NZ B:LYS54 4.5 28.0 1.0 CE1 B:HIS53 4.7 23.9 1.0 N A:PRO58 4.8 24.1 1.0 CB A:PRO58 4.8 26.7 1.0 N B:LYS54 4.8 26.2 1.0 N B:LEU50 4.9 24.3 1.0 CG2 B:ILE14 4.9 23.3 1.0 O B:ARG49 5.0 22.1 1.0 OE2 A:GLU62 5.0 26.5 1.0

Iodine binding site 4 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


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 Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I151 b:56.3 occ:0.50 O B:HOH203 3.4 47.1 1.0 CE A:LYS96 3.5 44.0 1.0 CE B:LYS96 3.6 41.9 1.0 NZ A:LYS96 3.7 45.4 1.0 NZ B:LYS96 3.8 38.0 1.0 CD A:LYS96 4.1 36.0 1.0 CD B:LYS96 4.2 34.2 1.0 CE2 B:TYR102 4.2 43.3 1.0 CD2 A:TYR102 4.3 29.1 1.0 CE2 A:TYR102 4.3 31.4 1.0 CD2 B:TYR102 4.3 40.3 1.0 CG B:LYS96 5.0 32.0 1.0 CG A:LYS96 5.0 26.4 1.0 O B:HOH242 5.0 51.9 1.0

Iodine binding site 5 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


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 Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I152 b:69.5 occ:0.50 CD1 A:TRP122 3.8 25.3 1.0 CD1 A:LEU126 4.0 32.1 1.0 CA A:GLY125 4.1 30.9 1.0 CG A:LEU126 4.2 28.9 1.0 O A:HOH204 4.3 60.5 1.0 C A:GLY125 4.3 30.5 1.0 NE1 A:TRP122 4.4 26.2 1.0 O A:HOH271 4.4 24.8 1.0 O A:SER121 4.5 27.4 1.0 O A:MET74 4.6 23.5 1.0 O A:GLY125 4.6 32.9 1.0 O A:HOH246 4.7 31.1 1.0 N A:LEU126 4.8 26.1 1.0 CA A:TRP122 4.8 23.4 1.0 CG A:TRP122 4.9 24.4 1.0 N A:GLY125 5.0 30.4 1.0

Iodine binding site 6 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


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 Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I153 b:37.9 occ:0.50 O A:HOH240 3.4 40.8 1.0 OE1 A:GLN142 3.9 28.9 1.0 CG A:MET138 4.0 25.9 1.0 CD A:LYS141 4.3 37.1 1.0 CB A:MET138 4.4 23.6 1.0 CA A:MET138 4.5 23.7 1.0 CB A:LYS141 4.6 25.1 1.0 CD1 C:ILE12 4.7 19.7 1.0 CD A:GLN142 4.8 29.0 1.0 CG2 C:ILE12 4.9 23.3 1.0 CG A:GLN142 5.0 28.5 1.0

Iodine binding site 7 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I148 b:18.1 occ:0.60 O B:HOH229 3.6 38.5 1.0 O B:GLU35 3.7 32.6 1.0 CA B:GLU39 3.9 35.1 1.0 C B:ASN38 4.0 34.7 1.0 O B:ASN38 4.0 36.0 1.0 N B:GLU39 4.2 34.4 1.0 O B:HOH222 4.2 21.1 1.0 O B:GLN36 4.4 30.5 1.0 CB B:ASN38 4.4 33.4 1.0 CA B:ASN38 4.5 34.0 1.0 C B:GLN36 4.6 29.2 1.0 CA B:GLN36 4.6 29.4 1.0 CB B:GLU39 4.7 35.4 1.0 N B:ASN38 4.7 32.2 1.0 C B:GLU35 4.8 33.5 1.0

Iodine binding site 8 out of 8 in the Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Vhs Domain of Human GGA1 Complexed with Sorla C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I149 b:80.4 occ:0.50 O B:HOH232 3.0 45.8 1.0 O B:MET74 3.7 33.2 1.0 O B:HOH177 3.8 31.5 1.0 CD1 B:TRP122 3.9 45.2 1.0 C B:MET74 4.0 32.1 1.0 NE1 B:TRP122 4.0 42.2 1.0 CD1 B:LEU126 4.2 64.2 1.0 CB B:MET74 4.3 29.9 1.0 N B:LYS75 4.3 38.9 1.0 CG B:LEU126 4.4 66.5 1.0 CA B:LYS75 4.4 41.1 1.0 CG B:LYS75 4.6 48.4 1.0 CA B:MET74 4.8 29.9 1.0 CE B:MET74 4.8 32.9 1.0 NE2 B:HIS82 4.9 37.6 1.0 CD2 B:LEU126 4.9 68.8 1.0

J.F.Cramer, C.Gustafsen, M.A.Behrens, C.L.P.Oliveira, J.S.Pedersen, P.Madsen, C.M.Petersen, S.S.Thirup. Gga Autoinhibition Revisited Traffic V. 11 259 2010.
ISSN: ISSN 1398-9219
PubMed: 20015111
DOI: 10.1111/J.1600-0854.2009.01017.X