Chlorine in PDB 2ag2: Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine

The structure of Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine, PDB code: 2ag2 was solved by C.S.Wright, L.Z.Mi, S.Lee, F.Rastinejad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.76 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.530, 86.190, 120.480, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.1

The binding sites of Chlorine atom in the Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine (pdb code 2ag2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine, PDB code: 2ag2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:16.1 occ:1.00 O C:HOH3701 3.0 33.4 1.0 CB A:CYS83 3.2 18.8 1.0 N A:LEU51 3.2 15.1 1.0 N A:CYS83 3.3 13.2 1.0 CA A:HIS81 3.4 13.3 1.0 C A:HIS81 3.5 14.4 1.0 CB A:HIS81 3.5 14.7 1.0 CB A:SER49 3.5 20.4 1.0 SG A:CYS83 3.6 22.2 1.0 CA A:PRO50 3.7 18.6 1.0 CA A:CYS83 3.7 17.6 1.0 N A:PHE82 3.8 16.6 1.0 CA A:SER49 3.8 19.2 1.0 N A:ASP84 3.9 14.2 1.0 C A:PRO50 3.9 17.9 1.0 O A:HIS81 3.9 12.8 1.0 CD2 A:HIS81 4.1 16.7 1.0 O A:LEU51 4.1 16.9 1.0 CG A:HIS81 4.1 14.7 1.0 CA A:LEU51 4.2 15.8 1.0 CB A:LEU51 4.3 17.9 1.0 C A:PHE82 4.3 15.1 1.0 C A:CYS83 4.3 17.3 1.0 C A:LEU51 4.6 15.8 1.0 CB A:PRO50 4.6 19.6 1.0 CA A:PHE82 4.6 15.2 1.0 N A:PRO50 4.6 18.8 1.0 N A:SER49 4.7 18.1 1.0 C A:SER49 4.8 18.0 1.0 N A:HIS81 4.8 13.4 1.0 O C:HOH3703 4.8 38.3 1.0 OG A:SER49 4.9 29.4 1.0 O A:GLU80 5.0 15.2 1.0 CB A:ASP84 5.0 18.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:19.3 occ:1.00 O A:HOH2495 2.8 29.8 1.0 N B:LEU51 3.2 17.7 1.0 CB B:CYS83 3.3 18.6 1.0 N B:CYS83 3.3 12.7 1.0 CA B:HIS81 3.4 14.9 1.0 C B:HIS81 3.5 12.9 1.0 SG B:CYS83 3.6 23.2 1.0 CB B:HIS81 3.6 14.5 1.0 CA B:PRO50 3.6 21.2 1.0 CB B:SER49 3.7 25.8 1.0 N B:PHE82 3.8 16.8 1.0 CA B:CYS83 3.8 14.7 1.0 CA B:SER49 3.8 23.7 1.0 C B:PRO50 3.9 21.9 1.0 ND1 B:HIS81 3.9 16.4 1.0 O B:HIS81 3.9 13.6 1.0 N B:ASP84 4.0 13.8 1.0 O B:LEU51 4.0 17.0 1.0 CA B:LEU51 4.2 18.7 1.0 CG B:HIS81 4.2 13.3 1.0 CB B:LEU51 4.3 17.6 1.0 C B:PHE82 4.4 14.0 1.0 C B:CYS83 4.4 15.3 1.0 C B:LEU51 4.5 18.1 1.0 CB B:PRO50 4.5 18.5 1.0 CA B:PHE82 4.7 13.1 1.0 N B:PRO50 4.7 22.4 1.0 N B:HIS81 4.7 13.8 1.0 N B:SER49 4.7 19.8 1.0 O B:GLU80 4.8 16.0 1.0 C B:SER49 4.8 23.9 1.0 O A:HOH2544 4.9 39.6 1.0 O A:HOH2472 4.9 42.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of GM2-Activator Protein Complexed with Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl803 b:23.9 occ:1.00 O C:HOH3724 3.2 33.1 1.0 N C:CYS83 3.3 17.2 1.0 CB C:CYS83 3.3 21.4 1.0 N C:LEU51 3.3 18.5 1.0 CA C:HIS81 3.5 17.5 1.0 C C:HIS81 3.6 17.8 1.0 SG C:CYS83 3.6 24.9 1.0 CB C:SER49 3.6 28.6 1.0 N C:PHE82 3.7 17.5 1.0 CA C:PRO50 3.7 21.1 1.0 CA C:CYS83 3.8 21.5 1.0 CA C:SER49 3.8 28.0 1.0 C C:PRO50 4.0 19.6 1.0 N C:ASP84 4.1 18.3 1.0 O C:HIS81 4.1 14.1 1.0 CB C:HIS81 4.2 18.3 1.0 O C:LEU51 4.2 21.5 1.0 CA C:LEU51 4.3 20.5 1.0 C C:PHE82 4.4 18.8 1.0 CB C:LEU51 4.4 23.8 1.0 C C:CYS83 4.5 20.6 1.0 O C:GLU80 4.5 20.1 1.0 CA C:PHE82 4.6 20.5 1.0 CB C:PRO50 4.6 22.1 1.0 C C:LEU51 4.7 19.6 1.0 OD1 C:ASP84 4.7 21.4 1.0 N C:PRO50 4.7 24.4 1.0 N C:HIS81 4.8 12.1 1.0 N C:SER49 4.8 20.7 1.0 C C:SER49 4.8 24.1 1.0 CG C:ASP84 4.9 26.3 1.0 ND1 C:HIS81 4.9 26.1 1.0 OG C:SER49 5.0 36.1 1.0

C.S.Wright, L.Z.Mi, S.Lee, F.Rastinejad. Crystal Structure Analysis of Phosphatidylcholine-GM2-Activator Product Complexes: Evidence For Hydrolase Activity. Biochemistry V. 44 13510 2005.
ISSN: ISSN 0006-2960
PubMed: 16216074
DOI: 10.1021/BI050668W