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Chlorine in PDB 3fg1: Crystal Structure of DELTA413-417:Gs Lox

Enzymatic activity of Crystal Structure of DELTA413-417:Gs Lox

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

Protein crystallography data

The structure of Crystal Structure of DELTA413-417:Gs Lox, PDB code: 3fg1 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) 30.00 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 103.982, 170.224, 104.497, 90.00, 95.88, 90.00
R / Rfree (%) 17.4 / 20.9

Other elements in 3fg1:

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

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of DELTA413-417:Gs Lox (pdb code 3fg1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of DELTA413-417:Gs Lox, PDB code: 3fg1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3fg1

Go back to Chlorine Binding Sites List in 3fg1
Chlorine binding site 1 out of 6 in the Crystal Structure of DELTA413-417:Gs 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 Lox within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2401

b:23.0
occ:1.00
 O A:HOH1348 3.1 39.8 1.0
N A:GLU1019 3.1 21.1 1.0
N A:ALA490 3.2 20.4 1.0
N A:ASP1020 3.2 21.7 1.0
CB A:ASP1020 3.7 21.5 1.0
CE3 A:TRP1018 3.7 18.3 1.0
CB A:ALA490 3.7 21.0 1.0
CA A:GLU489 3.8 22.3 1.0
CA A:GLU1019 3.9 21.5 1.0
CA A:TRP1018 3.9 20.0 1.0
C A:GLU489 4.0 21.1 1.0
C A:TRP1018 4.0 21.1 1.0
CA A:ALA490 4.0 20.7 1.0
C A:GLU1019 4.1 22.0 1.0
CA A:ASP1020 4.1 22.2 1.0
CB A:GLU1019 4.1 21.9 1.0
CD A:LYS784 4.1 19.3 1.0
CE A:LYS784 4.3 22.2 1.0
CZ A:PHE882 4.3 20.5 1.0
CB A:GLU489 4.3 22.0 1.0
CZ3 A:TRP1018 4.3 21.0 1.0
CB A:TRP1018 4.6 19.8 1.0
O A:ALA1017 4.6 20.8 1.0
CE2 A:PHE882 4.6 20.9 1.0
CD2 A:TRP1018 4.7 18.8 1.0
CG A:GLU489 4.7 24.6 1.0
O A:GLY488 4.9 21.9 1.0
N A:GLU489 5.0 21.7 1.0
CG A:GLU1019 5.0 24.8 1.0

Chlorine binding site 2 out of 6 in 3fg1

Go back to Chlorine Binding Sites List in 3fg1
Chlorine binding site 2 out of 6 in the Crystal Structure of DELTA413-417:Gs 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 Lox within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2402

b:41.5
occ:1.00
 O A:HOH263 3.2 21.0 1.0
N A:PHE431 3.3 24.3 1.0
N A:ASP406 3.3 19.6 1.0
CA A:THR405 3.5 20.1 1.0
CA A:GLY430 3.6 25.4 1.0
O A:HOH1705 3.6 30.7 1.0
CB A:THR405 3.7 20.6 1.0
O A:HOH2060 3.8 33.4 1.0
C A:THR405 3.9 20.4 1.0
O A:HOH2092 3.9 27.2 1.0
C A:GLY430 4.0 25.4 1.0
CB A:PHE431 4.0 23.0 1.0
CA A:PHE431 4.3 23.5 1.0
CG2 A:THR405 4.4 19.0 1.0
CB A:ASP406 4.4 21.0 1.0
CA A:ASP406 4.4 20.5 1.0
CD2 A:LEU408 4.5 24.4 1.0
N A:THR405 4.8 20.0 1.0
OG1 A:THR405 4.9 19.2 1.0
O A:ARG404 5.0 20.7 1.0
N A:GLY430 5.0 25.1 1.0
O A:HOH2099 5.0 27.9 1.0
O A:GLN429 5.0 23.8 1.0

Chlorine binding site 3 out of 6 in 3fg1

Go back to Chlorine Binding Sites List in 3fg1
Chlorine binding site 3 out of 6 in the Crystal Structure of DELTA413-417:Gs 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 Lox within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2401

b:25.1
occ:1.00
 O B:HOH2393 3.1 35.4 1.0
N B:ALA490 3.1 22.6 1.0
N B:GLU1019 3.2 23.5 1.0
N B:ASP1020 3.2 22.7 1.0
CB B:ALA490 3.7 21.9 1.0
CE3 B:TRP1018 3.7 21.0 1.0
CB B:ASP1020 3.7 22.1 1.0
CA B:GLU489 3.8 25.8 1.0
CA B:GLU1019 3.9 24.1 1.0
C B:GLU489 4.0 24.8 1.0
CD B:LYS784 4.0 19.1 1.0
CA B:TRP1018 4.0 22.7 1.0
CA B:ALA490 4.0 21.9 1.0
C B:GLU1019 4.0 24.1 1.0
CA B:ASP1020 4.1 22.6 1.0
C B:TRP1018 4.1 23.7 1.0
CB B:GLU1019 4.1 24.4 1.0
CE B:LYS784 4.2 19.4 1.0
CZ3 B:TRP1018 4.3 19.2 1.0
CB B:GLU489 4.4 27.5 1.0
CZ B:PHE882 4.4 20.4 1.0
O B:ALA1017 4.6 22.1 1.0
CB B:TRP1018 4.7 22.6 1.0
CD2 B:TRP1018 4.7 20.4 1.0
O B:GLY488 4.7 26.3 1.0
CG B:GLU489 4.8 30.4 1.0
CE2 B:PHE882 4.9 24.6 1.0
NZ B:LYS784 4.9 24.1 1.0
CG B:GLU1019 4.9 28.3 1.0
N B:GLU489 5.0 26.7 1.0

Chlorine binding site 4 out of 6 in 3fg1

Go back to Chlorine Binding Sites List in 3fg1
Chlorine binding site 4 out of 6 in the Crystal Structure of DELTA413-417:Gs 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 Lox within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2401

b:34.9
occ:1.00
 OD2 C:ASP1020 2.1 24.1 0.5
CG C:ASP1020 3.1 25.8 0.5
N C:GLU1019 3.1 26.0 1.0
N C:ASP1020 3.2 26.1 0.5
N C:ASP1020 3.2 26.1 0.5
N C:ALA490 3.3 23.7 1.0
CE3 C:TRP1018 3.6 22.9 1.0
CB C:ASP1020 3.6 25.6 0.5
CB C:ASP1020 3.7 25.4 0.5
CB C:ALA490 3.8 21.8 1.0
CA C:TRP1018 3.9 24.4 1.0
CD C:LYS784 3.9 19.1 1.0
CA C:GLU1019 3.9 27.4 1.0
CA C:GLU489 4.0 28.6 1.0
C C:TRP1018 4.0 25.8 1.0
CE C:LYS784 4.0 20.1 1.0
OD1 C:ASP1020 4.0 25.6 0.5
CA C:ASP1020 4.0 26.1 0.5
C C:GLU1019 4.0 26.6 1.0
CA C:ASP1020 4.0 26.0 0.5
C C:GLU489 4.1 26.6 1.0
CB C:GLU1019 4.1 28.7 1.0
CA C:ALA490 4.2 21.9 1.0
CZ3 C:TRP1018 4.2 23.3 1.0
O C:ALA1017 4.5 25.7 1.0
CB C:TRP1018 4.5 23.5 1.0
O C:GLY488 4.5 33.4 1.0
CD2 C:TRP1018 4.6 21.6 1.0
CZ C:PHE882 4.7 22.2 1.0
CB C:GLU489 4.7 30.9 1.0
CG C:GLU1019 4.8 33.6 1.0
N C:TRP1018 5.0 23.9 1.0
CG C:TRP1018 5.0 23.5 1.0

Chlorine binding site 5 out of 6 in 3fg1

Go back to Chlorine Binding Sites List in 3fg1
Chlorine binding site 5 out of 6 in the Crystal Structure of DELTA413-417:Gs Lox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of DELTA413-417:Gs Lox within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2402

b:22.0
occ:1.00
 N C:ASP406 3.1 19.2 1.0
O C:HOH2558 3.2 39.2 1.0
N C:PHE431 3.2 22.1 1.0
CA C:THR405 3.7 18.4 1.0
CA C:GLY430 3.8 23.3 1.0
CB C:THR405 3.8 18.9 1.0
CB C:PHE431 3.8 21.8 1.0
C C:THR405 3.9 19.0 1.0
CB C:ASP406 3.9 20.6 1.0
C C:GLY430 4.0 22.2 1.0
CG C:ASP406 4.0 22.7 1.0
CA C:ASP406 4.1 20.0 1.0
CD2 C:LEU408 4.1 23.8 1.0
CA C:PHE431 4.1 21.6 1.0
OD2 C:ASP406 4.2 25.8 1.0
OD1 C:ASP406 4.4 22.9 1.0
CG2 C:THR405 4.5 16.9 1.0
O C:ASP406 4.7 21.7 1.0
O C:HOH1230 4.7 37.8 1.0
C C:ASP406 4.9 19.8 1.0
OG1 C:THR405 4.9 17.4 1.0

Chlorine binding site 6 out of 6 in 3fg1

Go back to Chlorine Binding Sites List in 3fg1
Chlorine binding site 6 out of 6 in the Crystal Structure of DELTA413-417:Gs Lox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of DELTA413-417:Gs Lox within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2401

b:26.9
occ:1.00
 N D:GLU1019 3.1 24.4 1.0
N D:ALA490 3.2 22.4 1.0
N D:ASP1020 3.2 24.2 1.0
CE3 D:TRP1018 3.7 21.6 1.0
CB D:ASP1020 3.7 22.8 1.0
CB D:ALA490 3.7 21.3 1.0
CA D:GLU489 3.8 25.6 1.0
CA D:TRP1018 3.9 22.7 1.0
CA D:GLU1019 3.9 24.9 1.0
C D:GLU489 4.0 24.1 1.0
CE D:LYS784 4.0 25.8 1.0
C D:TRP1018 4.0 23.5 1.0
CD D:LYS784 4.0 21.6 1.0
CA D:ALA490 4.1 20.9 1.0
C D:GLU1019 4.1 25.1 1.0
CB D:GLU1019 4.1 25.5 1.0
CA D:ASP1020 4.1 24.5 1.0
CB D:GLU489 4.2 27.4 1.0
CZ3 D:TRP1018 4.3 20.8 1.0
CZ D:PHE882 4.5 18.6 1.0
O D:ALA1017 4.5 22.9 1.0
CB D:TRP1018 4.6 21.8 1.0
CG D:GLU489 4.6 31.0 1.0
CD2 D:TRP1018 4.7 18.0 1.0
CG D:GLU1019 4.8 29.4 1.0
CE2 D:PHE882 4.9 23.4 1.0
O D:GLY488 4.9 26.9 1.0
NZ D:LYS784 4.9 27.2 1.0
N D:GLU489 5.0 26.6 1.0

Reference:

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
Page generated: Sat Jul 20 19:22:50 2024

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