Iodine in PDB 3g2u: Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Peptide

The structure of Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Peptide, PDB code: 3g2u 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)	37.60 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.486, 72.728, 103.767, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.6

The binding sites of Iodine atom in the Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Peptide (pdb code 3g2u). 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 Peptide, PDB code: 3g2u:
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 Peptide


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 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I148 b:33.3 occ:0.50 NE2 B:GLN59 3.2 36.3 1.0 O A:LEU50 3.5 24.0 1.0 CD2 A:LEU50 3.7 30.3 1.0 CA A:LEU50 3.7 27.6 1.0 CD B:PRO58 3.8 37.9 1.0 ND1 A:HIS53 3.8 30.7 1.0 CE A:LYS54 3.9 32.8 1.0 CB A:LEU50 3.9 25.4 1.0 CG B:PRO58 4.0 35.4 1.0 C A:LEU50 4.1 26.4 1.0 CB A:HIS53 4.1 29.5 1.0 CD A:LYS54 4.2 24.6 1.0 CD B:GLN59 4.3 36.3 1.0 CG A:HIS53 4.3 32.6 1.0 CG A:LYS54 4.3 28.8 1.0 CG B:GLN59 4.4 37.0 1.0 CG A:LEU50 4.4 29.9 1.0 OG B:SER57 4.5 36.7 1.0 CB B:PRO58 4.6 34.9 1.0 CE1 A:HIS53 4.8 31.2 1.0 NZ A:LYS54 4.8 31.9 1.0 CG2 A:ILE14 4.9 25.2 1.0 N B:PRO58 4.9 38.1 1.0 N A:LYS54 4.9 21.6 1.0 OE2 B:GLU62 5.0 28.3 1.0

Iodine binding site 2 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Peptide


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 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I149 b:38.1 occ:0.50 NE2 A:GLN59 3.3 39.8 1.0 O A:HOH218 3.4 42.8 1.0 O B:LEU50 3.5 26.9 1.0 CD A:PRO58 3.7 24.0 1.0 CD2 B:LEU50 3.7 26.9 1.0 CA B:LEU50 3.8 27.7 1.0 CG A:PRO58 3.8 31.5 1.0 ND1 B:HIS53 3.9 27.6 1.0 CE B:LYS54 3.9 26.0 1.0 CB B:HIS53 3.9 28.8 1.0 CB B:LEU50 4.0 26.4 1.0 C B:LEU50 4.1 28.1 1.0 CG A:GLN59 4.1 30.6 1.0 CD A:GLN59 4.2 31.3 1.0 CG B:LYS54 4.3 29.6 1.0 CG B:HIS53 4.3 28.4 1.0 CD B:LYS54 4.3 25.4 1.0 OG A:SER57 4.4 30.1 1.0 NZ B:LYS54 4.4 28.0 1.0 CG B:LEU50 4.5 33.7 1.0 CB A:PRO58 4.7 29.3 1.0 N B:LYS54 4.9 25.4 1.0 N A:PRO58 4.9 28.7 1.0 CG2 B:ILE14 5.0 17.2 1.0

Iodine binding site 3 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Peptide


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 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I150 b:40.2 occ:1.00 CA A:GLY78 3.6 58.5 1.0 OD1 A:ASN38 3.6 34.1 1.0 N A:GLY78 3.7 55.0 1.0 N A:PHE81 3.8 35.6 1.0 NH2 A:ARG80 3.9 64.6 1.0 CB A:PHE81 3.9 29.8 1.0 CB A:CYS77 4.0 34.7 1.0 O A:HOH168 4.1 42.8 1.0 CA A:ASN38 4.1 40.3 1.0 CB A:ARG80 4.1 41.2 1.0 CB A:ASN38 4.1 37.0 1.0 CD1 A:LEU37 4.2 30.4 1.0 NE A:ARG80 4.2 55.9 1.0 CG A:ASN38 4.3 38.4 1.0 CZ A:ARG80 4.3 59.9 1.0 SG A:CYS77 4.4 38.6 1.0 C A:GLY78 4.4 60.3 1.0 N A:ARG80 4.4 38.7 1.0 N A:LYS79 4.5 42.2 1.0 CA A:PHE81 4.5 31.5 1.0 CA A:ARG80 4.6 40.5 1.0 C A:ARG80 4.6 38.5 1.0 C A:CYS77 4.7 34.1 1.0 CA A:CYS77 4.7 34.9 1.0 CG A:PRO44 4.8 34.6 1.0 N A:ASN38 4.9 36.8 1.0

Iodine binding site 4 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Peptide


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 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I151 b:46.6 occ:0.50 OE1 A:GLN137 2.9 54.0 1.0 CD A:LYS140 3.6 47.3 1.0 CD A:GLN137 4.0 58.5 1.0 N A:LYS141 4.3 39.5 1.0 CA A:LYS141 4.3 41.0 1.0 CG A:LYS140 4.4 42.5 1.0 CG A:LYS141 4.4 39.3 1.0 NE2 A:GLN137 4.4 57.8 1.0 CB A:LYS141 4.5 41.4 1.0 CB A:LYS140 4.6 36.8 1.0 C A:LYS140 4.8 40.0 1.0 CE A:LYS140 4.8 54.4 1.0 O A:GLN137 4.8 42.7 1.0 CD A:LYS141 4.9 40.5 1.0

Iodine binding site 5 out of 5 in the Vhs Domain of Human GGA1 Complexed with Sotilin C-Terminal Peptide


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 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I148 b:66.6 occ:0.50 NZ B:LYS110 3.4 67.7 1.0 OE1 B:GLU60 3.4 59.0 1.0 CE3 B:TRP61 3.8 39.5 1.0 CG B:GLU60 3.9 45.3 1.0 CD B:GLU60 3.9 54.5 1.0 CA B:TRP61 3.9 34.3 1.0 CB B:TRP61 4.0 32.6 1.0 CG1 B:ILE64 4.0 36.6 1.0 N B:TRP61 4.2 33.8 1.0 CB B:ILE64 4.4 30.0 1.0 C B:GLU60 4.5 35.6 1.0 CD2 B:TRP61 4.5 38.0 1.0 CE B:LYS110 4.6 66.4 1.0 CB B:GLU60 4.6 40.0 1.0 CG2 B:ILE64 4.6 24.2 1.0 CZ3 B:TRP61 4.7 34.9 1.0 CG B:TRP61 4.7 36.0 1.0 O B:GLU60 4.7 35.8 1.0 CD B:LYS110 4.8 63.7 1.0 OE2 B:GLU60 4.8 52.5 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