Chlorine in PDB 4bca: Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant

All present enzymatic activity of Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant:
2.5.1.26;

The structure of Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant, PDB code: 4bca was solved by S.Nenci, V.Piano, S.Rosati, A.Aliverti, V.Pandini, M.W.Fraaije, A.J.R.Heck, D.E.Edmondson, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.58 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.680, 99.320, 107.980, 90.43, 92.12, 95.20
R / Rfree (%)	18.7 / 25.2

The binding sites of Chlorine atom in the Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant (pdb code 4bca). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant, PDB code: 4bca:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1659 b:36.4 occ:1.00 N5 A:FAD999 2.7 10.5 1.0 C4X A:FAD999 3.0 10.2 1.0 C5X A:FAD999 3.1 10.8 1.0 NE2 A:HIS617 3.4 20.6 1.0 C4 A:FAD999 3.5 10.9 1.0 O4 A:FAD999 3.6 10.0 1.0 CZ A:PHE578 3.6 30.6 1.0 C6 A:FAD999 3.7 11.8 1.0 CE1 A:PHE578 3.7 28.8 1.0 CE1 A:HIS616 3.8 12.7 1.0 C10 A:FAD999 3.8 10.2 1.0 O A:HOH2115 3.8 28.6 1.0 C9A A:FAD999 3.9 10.8 1.0 N10 A:FAD999 4.1 10.6 1.0 CD2 A:HIS617 4.3 18.8 1.0 OD2 A:ASP303 4.4 26.7 1.0 CE1 A:HIS617 4.4 17.2 1.0 CB A:ASP303 4.5 16.3 1.0 N3 A:FAD999 4.6 9.7 1.0 ND1 A:HIS616 4.6 17.5 1.0 CG A:ASP303 4.7 21.8 1.0 NE2 A:HIS616 4.7 13.1 1.0 C7 A:FAD999 4.7 12.4 1.0 N1 A:FAD999 4.8 11.0 1.0 CE2 A:PHE578 4.8 32.8 1.0 C9 A:FAD999 4.8 11.7 1.0 CD1 A:PHE578 4.9 28.7 1.0

Chlorine binding site 2 out of 4 in the Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1659 b:56.2 occ:1.00 N5 B:FAD999 2.8 15.4 1.0 C5X B:FAD999 3.2 14.4 1.0 C4X B:FAD999 3.2 13.3 1.0 NE2 B:HIS617 3.5 20.8 1.0 CZ B:PHE578 3.5 30.2 1.0 C6 B:FAD999 3.7 15.1 1.0 C4 B:FAD999 3.8 12.8 1.0 CE1 B:PHE578 3.8 23.6 1.0 C9A B:FAD999 3.9 14.4 1.0 C10 B:FAD999 3.9 13.5 1.0 O4 B:FAD999 4.0 12.9 1.0 NE2 B:HIS616 4.0 16.4 1.0 N10 B:FAD999 4.2 13.8 1.0 CD2 B:HIS617 4.4 20.7 1.0 CE1 B:HIS617 4.4 20.9 1.0 OD2 B:ASP303 4.5 32.3 1.0 CE2 B:PHE578 4.6 30.8 1.0 CB B:ASP303 4.6 21.0 1.0 C7 B:FAD999 4.7 15.8 1.0 N3 B:FAD999 4.8 14.2 1.0 CD2 B:HIS616 4.8 17.6 1.0 C9 B:FAD999 4.8 15.1 1.0 N1 B:FAD999 4.8 13.6 1.0 CG B:ASP303 4.9 25.2 1.0

Chlorine binding site 3 out of 4 in the Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1659 b:39.1 occ:1.00 N5 C:FAD999 2.7 9.2 1.0 C4X C:FAD999 3.1 8.8 1.0 C5X C:FAD999 3.1 11.9 1.0 NE2 C:HIS617 3.4 16.8 1.0 C4 C:FAD999 3.6 8.8 1.0 C6 C:FAD999 3.7 9.8 1.0 C10 C:FAD999 3.7 8.4 1.0 CZ C:PHE578 3.7 19.6 1.0 O4 C:FAD999 3.8 9.2 1.0 C9A C:FAD999 3.8 11.2 1.0 NE2 C:HIS616 3.8 14.2 1.0 CE2 C:PHE578 3.8 17.6 1.0 N10 C:FAD999 4.0 8.6 1.0 CD2 C:HIS617 4.3 14.3 1.0 CE1 C:HIS617 4.4 14.9 1.0 OD2 C:ASP303 4.5 30.0 1.0 N3 C:FAD999 4.6 8.4 1.0 CD2 C:HIS616 4.6 15.5 1.0 N1 C:FAD999 4.6 8.6 1.0 C7 C:FAD999 4.7 13.2 1.0 CB C:ASP303 4.7 17.2 1.0 C9 C:FAD999 4.7 9.7 1.0 CE1 C:HIS616 4.8 15.4 1.0 CE1 C:PHE578 4.9 21.9 1.0 CD2 C:PHE578 5.0 16.4 1.0 C2 C:FAD999 5.0 8.7 1.0

Chlorine binding site 4 out of 4 in the Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mammalian Alkyldihydroxyacetonephosphate Synthase: TYR578PHE Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1659 b:45.0 occ:1.00 N5 D:FAD999 2.7 13.9 1.0 C4X D:FAD999 3.2 10.1 1.0 C5X D:FAD999 3.2 11.2 1.0 NE2 D:HIS617 3.6 19.4 1.0 CZ D:PHE578 3.6 22.2 1.0 C6 D:FAD999 3.6 11.4 1.0 C4 D:FAD999 3.6 10.1 1.0 CE2 D:PHE578 3.7 23.8 1.0 O4 D:FAD999 3.7 10.5 1.0 O D:HOH2034 3.8 25.2 1.0 C10 D:FAD999 3.9 9.7 1.0 C9A D:FAD999 4.0 10.7 1.0 NE2 D:HIS616 4.0 16.7 1.0 N10 D:FAD999 4.3 9.8 1.0 CD2 D:HIS617 4.5 16.1 1.0 OD2 D:ASP303 4.5 29.4 1.0 CE1 D:HIS617 4.5 18.5 1.0 CB D:ASP303 4.6 17.6 1.0 C7 D:FAD999 4.6 13.1 1.0 N3 D:FAD999 4.7 9.6 1.0 CE1 D:PHE578 4.8 23.1 1.0 CG D:ASP303 4.8 23.7 1.0 CD2 D:HIS616 4.9 14.1 1.0 N1 D:FAD999 4.9 10.5 1.0 CE1 D:HIS616 4.9 16.5 1.0 CD2 D:PHE578 4.9 24.6 1.0 C9 D:FAD999 4.9 10.5 1.0

S.Nenci, V.Piano, S.Rosati, A.Aliverti, V.Pandini, M.W.Fraaije, A.J.R.Heck, D.E.Edmondson, A.Mattevi. Precursor of Ether Phospholipids Is Synthesized By A Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.Usa V. 109 18791 2012.
ISSN: ISSN 0027-8424
PubMed: 23112191
DOI: 10.1073/PNAS.1215128109