Chlorine in PDB 3fg4: Crystal Structure of DELTA413-417:Gs I805A Lox

All present enzymatic activity of Crystal Structure of DELTA413-417:Gs I805A Lox:
1.13.11.40;

The structure of Crystal Structure of DELTA413-417:Gs I805A Lox, PDB code: 3fg4 was solved by D.B.Neau, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.03 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	104.361, 170.382, 104.900, 90.00, 95.51, 90.00
R / Rfree (%)	16.8 / 23.9

The structure of Crystal Structure of DELTA413-417:Gs I805A Lox also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Calcium	(Ca)	8 atoms

The binding sites of Chlorine atom in the Crystal Structure of DELTA413-417:Gs I805A Lox (pdb code 3fg4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of DELTA413-417:Gs I805A Lox, PDB code: 3fg4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of DELTA413-417:Gs I805A Lox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of DELTA413-417:Gs I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2401 b:28.2 occ:1.00 O A:HOH1101 3.1 37.8 1.0 N A:GLU1019 3.1 22.1 1.0 N A:ALA490 3.1 24.1 1.0 N A:ASP1020 3.2 23.4 1.0 CB A:ASP1020 3.7 24.8 1.0 CA A:GLU489 3.7 25.7 1.0 CE3 A:TRP1018 3.7 15.2 1.0 CB A:ALA490 3.8 23.4 1.0 C A:GLU489 3.9 24.8 1.0 CA A:TRP1018 3.9 19.5 1.0 CA A:GLU1019 4.0 23.3 1.0 C A:TRP1018 4.0 20.6 1.0 C A:GLU1019 4.0 23.0 1.0 CA A:ASP1020 4.1 24.1 1.0 CA A:ALA490 4.1 23.0 1.0 CE A:LYS784 4.1 22.7 1.0 CD A:LYS784 4.1 19.9 1.0 CB A:GLU489 4.1 26.5 1.0 CZ A:PHE882 4.2 20.0 1.0 CB A:GLU1019 4.2 24.4 1.0 CZ3 A:TRP1018 4.4 17.2 1.0 CB A:TRP1018 4.6 18.2 1.0 CG A:GLU489 4.6 30.1 1.0 O A:ALA1017 4.6 22.0 1.0 CD2 A:TRP1018 4.7 17.4 1.0 CE2 A:PHE882 4.7 21.9 1.0 O A:GLY488 4.8 22.4 1.0 N A:GLU489 4.9 24.4 1.0 NZ A:LYS784 4.9 22.1 1.0 CG A:GLU1019 4.9 28.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of DELTA413-417:Gs I805A Lox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of DELTA413-417:Gs I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2401 b:29.9 occ:1.00 N B:GLU1019 3.1 28.5 1.0 N B:ALA490 3.1 18.2 1.0 N B:ASP1020 3.2 29.6 1.0 CE3 B:TRP1018 3.6 16.0 1.0 CB B:ALA490 3.7 18.0 1.0 CB B:ASP1020 3.7 30.4 1.0 CA B:GLU489 3.8 26.9 1.0 CD B:LYS784 3.9 18.8 1.0 CA B:GLU1019 3.9 34.3 1.0 C B:GLU489 3.9 22.7 1.0 CA B:TRP1018 4.0 21.9 1.0 C B:TRP1018 4.0 31.3 1.0 CA B:ALA490 4.0 24.9 1.0 CE B:LYS784 4.0 16.8 1.0 C B:GLU1019 4.1 31.8 1.0 CA B:ASP1020 4.1 33.0 1.0 CB B:GLU1019 4.1 31.6 1.0 CZ3 B:TRP1018 4.2 9.9 1.0 CB B:GLU489 4.3 38.6 1.0 CZ B:PHE882 4.4 19.2 1.0 O B:ALA1017 4.6 23.1 1.0 CD2 B:TRP1018 4.7 12.4 1.0 CB B:TRP1018 4.7 16.9 1.0 CG B:GLU489 4.8 41.7 1.0 O B:GLY488 4.8 29.3 1.0 NZ B:LYS784 4.9 19.6 1.0 CE2 B:PHE882 4.9 25.6 1.0 CG B:GLU1019 5.0 41.1 1.0 N B:GLU489 5.0 27.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of DELTA413-417:Gs I805A Lox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of DELTA413-417:Gs I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2401 b:23.7 occ:1.00 N C:ASP406 3.1 17.8 1.0 N C:PHE431 3.2 24.8 1.0 CA C:THR405 3.6 17.1 1.0 CB C:THR405 3.6 18.9 1.0 CB C:PHE431 3.7 24.7 1.0 CA C:GLY430 3.8 24.5 1.0 C C:THR405 3.8 20.0 1.0 CB C:ASP406 4.0 19.6 1.0 CG C:ASP406 4.0 26.7 1.0 C C:GLY430 4.0 21.2 1.0 CA C:PHE431 4.1 25.7 1.0 CA C:ASP406 4.1 19.3 1.0 CD2 C:LEU408 4.1 18.1 1.0 OD2 C:ASP406 4.3 28.8 1.0 OD1 C:ASP406 4.3 21.1 1.0 CG2 C:THR405 4.5 11.0 1.0 OG1 C:THR405 4.7 18.1 1.0 O C:ASP406 4.7 15.5 1.0 C C:ASP406 4.8 21.0 1.0 CG C:LEU408 4.9 23.5 1.0 CD1 C:LEU408 5.0 19.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of DELTA413-417:Gs I805A Lox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of DELTA413-417:Gs I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2401 b:26.6 occ:1.00 N D:GLU1019 3.1 31.2 1.0 N D:ASP1020 3.2 32.9 1.0 N D:ALA490 3.2 24.6 1.0 CE3 D:TRP1018 3.6 15.4 1.0 CB D:ASP1020 3.7 26.9 1.0 CA D:GLU489 3.8 30.7 1.0 CB D:ALA490 3.8 20.8 1.0 CA D:GLU1019 3.9 24.8 1.0 CA D:TRP1018 4.0 23.7 1.0 C D:GLU489 4.0 24.4 1.0 C D:GLU1019 4.0 32.0 1.0 C D:TRP1018 4.0 23.7 1.0 CA D:ASP1020 4.0 29.0 1.0 CB D:GLU1019 4.0 29.6 1.0 CD D:LYS784 4.1 20.2 1.0 CA D:ALA490 4.1 24.9 1.0 CZ3 D:TRP1018 4.1 11.6 1.0 CE D:LYS784 4.1 23.4 1.0 CB D:GLU489 4.3 36.6 1.0 CZ D:PHE882 4.5 19.1 1.0 O D:ALA1017 4.6 25.8 1.0 CG D:GLU489 4.6 38.0 1.0 CD2 D:TRP1018 4.6 12.4 1.0 CB D:TRP1018 4.7 19.9 1.0 NZ D:LYS784 4.8 21.9 1.0 CG D:GLU1019 4.8 42.3 1.0 O D:GLY488 4.9 28.7 1.0 N D:GLU489 4.9 28.3 1.0 CE2 D:PHE882 4.9 30.1 1.0

D.B.Neau, N.C.Gilbert, S.G.Bartlett, W.Boeglin, A.R.Brash, M.E.Newcomer. The 1.85 A Structure of An 8R-Lipoxygenase Suggests A General Model For Lipoxygenase Product Specificity. Biochemistry V. 48 7906 2009.
ISSN: ISSN 0006-2960
PubMed: 19594169
DOI: 10.1021/BI900084M