Bromine in PDB 1q3o: Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization

The structure of Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization, PDB code: 1q3o was solved by Y.J.Im, J.H.Lee, S.H.Park, S.J.Park, S.-H.Rho, G.B.Kang, E.Kim, S.H.Eom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.73 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.000, 50.340, 51.770, 90.00, 106.30, 90.00
R / Rfree (%)	23.4 / 25.1

The binding sites of Bromine atom in the Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization (pdb code 1q3o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization, PDB code: 1q3o:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization within 5.0Å range: probe atom residue distance (Å) B Occ A:Br101 b:56.1 occ:1.00 ND2 A:ASN668 3.0 28.4 1.0 BR A:BR102 3.1 63.9 1.0 CA A:GLN665 3.5 19.3 1.0 O A:HOH10 3.8 20.9 1.0 CB A:GLN665 3.8 20.9 1.0 CG A:GLN665 3.9 18.9 1.0 CG A:ASN668 4.1 28.6 1.0 N A:GLN665 4.1 20.4 1.0 CB A:ASN668 4.2 24.4 1.0 O A:ARG664 4.4 18.4 1.0 C A:ARG664 4.4 20.8 1.0 C A:GLN665 4.7 19.6 1.0 CG A:ARG664 4.8 32.2 1.0 O A:GLN665 4.8 18.4 1.0 OE1 A:GLN665 4.9 20.4 1.0 CD A:GLN665 4.9 20.9 1.0

Bromine binding site 2 out of 5 in the Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization within 5.0Å range: probe atom residue distance (Å) B Occ A:Br102 b:63.9 occ:1.00 O A:HOH16 3.1 22.8 1.0 BR A:BR101 3.1 56.1 1.0 O A:HOH10 3.5 20.9 1.0 CB A:ARG664 3.7 27.4 1.0 CG A:ARG664 3.7 32.2 1.0 N A:GLN665 3.8 20.4 1.0 CD A:ARG664 3.9 36.9 1.0 CB A:GLN665 4.2 20.9 1.0 CA A:GLN665 4.2 19.3 1.0 C A:ARG664 4.3 20.8 1.0 CA A:ARG664 4.6 21.4 1.0 NE A:ARG664 4.7 41.5 1.0 ND2 A:ASN668 5.0 28.4 1.0

Bromine binding site 3 out of 5 in the Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization within 5.0Å range: probe atom residue distance (Å) B Occ A:Br105 b:65.8 occ:1.00 O A:HOH37 3.0 28.6 1.0 O A:HOH64 3.5 48.4 1.0 NZ A:LYS660 3.5 37.8 1.0 CE A:LYS660 3.8 32.5 1.0 CD A:PRO620 3.8 25.1 1.0 CG B:PRO620 3.9 33.2 1.0 CG1 B:VAL659 4.0 31.7 1.0 CB B:VAL659 4.1 32.8 1.0 CD B:LYS660 4.1 45.2 1.0 CG2 A:THR619 4.2 28.4 1.0 CG B:LYS660 4.3 41.0 1.0 OD1 B:ASN657 4.4 32.5 1.0 CG2 B:VAL659 4.5 32.8 1.0 ND2 B:ASN657 4.5 36.3 1.0 CA A:THR619 4.5 26.0 1.0 CD B:PRO620 4.5 31.2 1.0 OG1 A:THR619 4.7 28.2 1.0 CB A:THR619 4.7 27.1 1.0 N A:PRO620 4.8 24.6 1.0 OE2 A:GLU617 4.8 45.7 1.0 O A:PHE618 4.8 26.7 1.0 CG B:ASN657 4.9 33.5 1.0 CG A:PRO620 4.9 26.6 1.0 CB B:PRO620 5.0 30.3 1.0

Bromine binding site 4 out of 5 in the Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization within 5.0Å range: probe atom residue distance (Å) B Occ B:Br103 b:43.9 occ:1.00 O B:HOH49 3.3 36.5 1.0 CD B:PRO622 3.4 25.2 1.0 O A:HOH71 3.7 40.2 1.0 N B:ALA623 3.7 27.6 1.0 N B:PRO622 3.9 25.6 1.0 CB B:PRO622 3.9 26.1 1.0 CG B:PRO622 4.0 24.4 1.0 CB B:THR621 4.0 23.9 1.0 CB B:ALA623 4.1 30.0 1.0 CG A:GLU589 4.2 25.2 1.0 CD A:LYS680 4.4 24.6 1.0 CA B:PRO622 4.4 27.2 1.0 OG1 B:THR621 4.5 26.8 1.0 CA B:ALA623 4.5 27.8 1.0 C B:PRO622 4.5 27.1 1.0 CG1 A:VAL682 4.6 17.5 1.0 CE1 B:TYR585 4.6 29.5 1.0 C B:THR621 4.7 25.2 1.0 CG2 A:ILE651 4.7 17.9 1.0 CB A:GLU589 4.7 22.2 1.0 CZ B:TYR585 4.8 30.1 1.0 CG2 B:THR621 4.9 22.6 1.0 CA B:THR621 4.9 25.1 1.0 OH B:TYR585 4.9 30.8 1.0 CD A:GLU589 4.9 29.7 1.0

Bromine binding site 5 out of 5 in the Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization within 5.0Å range: probe atom residue distance (Å) B Occ B:Br104 b:63.3 occ:1.00 OE1 B:GLN628 3.3 31.9 1.0 N B:HIS663 3.4 33.7 1.0 CD2 B:LEU627 3.8 30.2 1.0 CA B:GLY662 3.9 32.9 1.0 CG B:LEU627 4.0 30.5 1.0 CB B:HIS663 4.0 34.5 1.0 CA B:GLY608 4.1 43.3 1.0 C B:GLY662 4.1 34.0 1.0 CD B:GLN628 4.2 29.1 1.0 CA B:HIS663 4.2 33.9 1.0 NE2 B:GLN628 4.5 26.5 1.0 C B:GLY608 4.6 46.0 1.0 N B:ALA609 4.7 48.7 1.0 O B:VAL661 4.7 31.5 1.0 CD1 B:LEU627 4.8 30.1 1.0 O B:HOH44 4.9 41.5 1.0

Y.J.Im, J.H.Lee, S.H.Park, S.J.Park, S.-H.Rho, G.B.Kang, E.Kim, S.H.Eom. Crystal Structure of the Shank Pdz-Ligand Complex Reveals A Class I Pdz Interaction and A Novel Pdz-Pdz Dimerization J.Biol.Chem. V. 278 48099 2003.
ISSN: ISSN 0021-9258
PubMed: 12954649
DOI: 10.1074/JBC.M306919200