Iodine in PDB 3g2v: Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Phosphopeptide

The structure of Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Phosphopeptide, PDB code: 3g2v 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)	43.47 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.000, 72.900, 102.500, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24.4

The binding sites of Iodine atom in the Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Phosphopeptide (pdb code 3g2v). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Phosphopeptide, PDB code: 3g2v:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin 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 Sotilin C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I148 b:33.0 occ:0.50 NE2 B:GLN59 3.3 30.0 1.0 O A:LEU50 3.5 26.8 1.0 CD B:PRO58 3.8 28.7 1.0 CA A:LEU50 3.8 26.6 1.0 ND1 A:HIS53 3.8 30.5 1.0 O A:HOH178 3.9 31.4 1.0 CD2 A:LEU50 3.9 36.2 1.0 CE A:LYS54 4.0 28.9 1.0 CB A:LEU50 4.0 28.1 1.0 CB A:HIS53 4.0 25.4 1.0 CG B:PRO58 4.1 31.2 1.0 C A:LEU50 4.1 24.4 1.0 CD A:LYS54 4.3 28.7 1.0 CG A:HIS53 4.3 28.6 1.0 CD B:GLN59 4.3 36.2 1.0 CG A:LYS54 4.4 24.4 1.0 CG B:GLN59 4.4 31.9 1.0 OG B:SER57 4.5 34.6 1.0 CG A:LEU50 4.6 32.4 1.0 NZ A:LYS54 4.6 28.3 1.0 CB B:PRO58 4.6 32.4 1.0 N A:LYS54 4.8 22.0 1.0 N B:PRO58 4.8 28.5 1.0 CE1 A:HIS53 4.9 27.1 1.0 CG2 A:ILE14 4.9 28.4 1.0

Iodine binding site 2 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin 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 Sotilin C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I149 b:28.0 occ:0.50 OD1 A:ASN38 3.5 33.8 1.0 N A:PHE81 3.7 33.3 1.0 N A:GLY78 3.7 52.7 1.0 CA A:GLY78 3.8 53.9 1.0 O A:HOH173 3.9 56.7 1.0 NH2 A:ARG80 3.9 67.3 1.0 NE A:ARG80 3.9 65.5 1.0 CB A:ARG80 4.0 42.2 1.0 CB A:CYS77 4.0 32.5 1.0 CB A:PHE81 4.0 28.7 1.0 CD1 A:LEU37 4.2 27.9 1.0 CA A:ASN38 4.2 32.2 1.0 CG A:ASN38 4.3 33.9 1.0 CZ A:ARG80 4.3 68.5 1.0 CB A:ASN38 4.3 31.0 1.0 N A:ARG80 4.4 37.5 1.0 CA A:PHE81 4.5 29.2 1.0 CA A:ARG80 4.5 37.8 1.0 CG A:PRO44 4.5 34.0 1.0 C A:ARG80 4.5 34.1 1.0 SG A:CYS77 4.6 37.2 1.0 C A:CYS77 4.7 34.8 1.0 CA A:CYS77 4.7 35.4 1.0 N A:LYS79 4.8 43.9 1.0 C A:GLY78 4.8 56.0 1.0 CG A:ARG80 4.9 51.4 1.0 N A:ASN38 4.9 29.6 1.0 CD A:ARG80 5.0 62.1 1.0

Iodine binding site 3 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin 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 Sotilin C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I150 b:74.9 occ:0.50 CD1 A:TRP122 3.6 26.3 1.0 O A:HOH153 4.1 25.7 1.0 CD1 A:LEU126 4.1 31.1 1.0 O A:HOH216 4.2 43.4 1.0 CG A:LEU126 4.3 33.0 1.0 NE1 A:TRP122 4.3 24.5 1.0 O A:SER121 4.4 27.1 1.0 CA A:GLY125 4.6 32.5 1.0 CG A:LYS75 4.7 39.5 1.0 CA A:TRP122 4.8 27.6 1.0 CG A:TRP122 4.8 22.2 1.0 O A:MET74 4.8 31.1 1.0 C A:GLY125 4.8 32.8 1.0 C A:SER121 4.9 26.6 1.0 O A:HOH186 4.9 43.7 1.0 CD2 A:LEU126 5.0 39.5 1.0

Iodine binding site 4 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin 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 Sotilin C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I148 b:38.0 occ:0.50 O A:HOH196 3.0 34.6 1.0 O B:LEU50 3.5 26.1 1.0 NE2 A:GLN59 3.6 40.0 1.0 CD2 B:LEU50 3.7 28.9 1.0 CA B:LEU50 3.7 28.1 1.0 CG A:PRO58 3.8 29.7 1.0 CD A:PRO58 3.8 26.7 1.0 ND1 B:HIS53 3.8 27.3 1.0 CB B:HIS53 3.9 29.4 1.0 CE B:LYS54 3.9 31.1 1.0 CB B:LEU50 3.9 26.8 1.0 C B:LEU50 4.1 26.7 1.0 CD B:LYS54 4.1 29.9 1.0 CG A:GLN59 4.2 31.4 1.0 CG B:HIS53 4.2 27.6 1.0 OG A:SER57 4.3 29.8 1.0 CG B:LYS54 4.3 28.2 1.0 CD A:GLN59 4.4 35.8 1.0 CG B:LEU50 4.5 29.7 1.0 NZ B:LYS54 4.5 28.7 1.0 N B:LYS54 4.8 25.9 1.0 N A:PRO58 4.9 27.3 1.0 OE2 A:GLU62 4.9 32.0 1.0 CE1 B:HIS53 4.9 29.5 1.0 CG2 B:ILE14 5.0 25.7 1.0

Iodine binding site 5 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin 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 Sotilin C-Terminal Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I149 b:84.1 occ:0.50 OE1 B:GLU60 3.5 56.5 1.0 CD B:GLU60 3.7 50.9 1.0 CA B:TRP61 3.8 34.7 1.0 N B:TRP61 3.9 35.8 1.0 NZ B:LYS110 3.9 64.4 1.0 CB B:TRP61 3.9 34.9 1.0 CG B:GLU60 4.0 41.0 1.0 CE3 B:TRP61 4.1 35.7 1.0 CG1 B:ILE64 4.1 35.3 1.0 OE2 B:GLU60 4.2 56.7 1.0 C B:GLU60 4.2 32.5 1.0 CB B:GLU60 4.3 39.0 1.0 O B:GLU60 4.4 31.8 1.0 CB B:ILE64 4.5 32.7 1.0 CD2 B:TRP61 4.7 35.0 1.0 CG B:TRP61 4.7 36.4 1.0 CD B:LYS110 4.8 63.2 1.0 CE B:LYS110 4.8 62.8 1.0 CA B:GLU60 4.9 35.2 1.0 CG2 B:ILE64 5.0 33.1 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