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Chlorine in PDB 2w0u: Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate.

Enzymatic activity of Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate.

All present enzymatic activity of Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate.:
1.1.3.15;

Protein crystallography data

The structure of Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate., PDB code: 2w0u was solved by J.M.Bourhis, Y.Lindqvist, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.73 / 2.84
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 138.690, 138.690, 186.840, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 25

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate. (pdb code 2w0u). 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 Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate., PDB code: 2w0u:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2w0u

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Chlorine binding site 1 out of 4 in the Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate.


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 Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1364

b:56.6
occ:1.00
CL A:C7C1364 0.0 56.6 1.0
C1 A:C7C1364 1.8 54.6 1.0
NE1 A:TRP110 2.7 38.1 1.0
C2 A:C7C1364 2.8 54.0 1.0
C6 A:C7C1364 2.8 53.9 1.0
CD1 A:TRP110 3.1 37.8 1.0
CE2 A:TRP110 3.3 37.8 1.0
CB A:TYR208 3.7 66.0 1.0
CG A:TYR208 3.8 67.2 1.0
CG A:TRP110 3.9 37.4 1.0
CD1 A:TYR208 4.0 68.5 1.0
CZ2 A:TRP110 4.0 38.1 1.0
CD2 A:TRP110 4.0 38.3 1.0
C3 A:C7C1364 4.1 53.2 1.0
C5 A:C7C1364 4.1 53.2 1.0
CD2 A:TYR208 4.5 67.9 1.0
CD2 A:LEU205 4.6 67.3 1.0
C4 A:C7C1364 4.6 52.4 1.0
CE1 A:TYR208 4.8 69.2 1.0
CB A:TRP110 5.0 36.1 1.0

Chlorine binding site 2 out of 4 in 2w0u

Go back to Chlorine Binding Sites List in 2w0u
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate.


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 Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1364

b:61.0
occ:1.00
CL B:C7C1364 0.0 61.0 1.0
C1 B:C7C1364 1.8 58.4 1.0
C6 B:C7C1364 2.8 57.4 1.0
C2 B:C7C1364 2.8 57.8 1.0
NE1 B:TRP110 3.3 40.2 1.0
CB B:TYR208 3.5 68.9 1.0
CD1 B:TRP110 3.5 39.9 1.0
CG B:TYR208 3.8 69.8 1.0
CE2 B:TRP110 3.8 39.4 1.0
CD1 B:TYR208 4.0 70.7 1.0
C3 B:C7C1364 4.1 56.5 1.0
C5 B:C7C1364 4.1 56.5 1.0
CG B:TRP110 4.2 39.5 1.0
CD2 B:LEU205 4.2 71.1 1.0
CD2 B:TRP110 4.4 39.6 1.0
CZ2 B:TRP110 4.5 38.9 1.0
CD2 B:TYR208 4.5 70.3 1.0
C4 B:C7C1364 4.6 55.7 1.0
CA B:TYR208 4.9 68.7 1.0
CE1 B:TYR208 4.9 71.4 1.0

Chlorine binding site 3 out of 4 in 2w0u

Go back to Chlorine Binding Sites List in 2w0u
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate.


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 Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1364

b:66.0
occ:1.00
CL C:C7C1364 0.0 66.0 1.0
C1 C:C7C1364 1.8 64.5 1.0
C6 C:C7C1364 2.8 63.7 1.0
C2 C:C7C1364 2.8 64.0 1.0
NE1 C:TRP110 2.9 47.1 1.0
CD1 C:TRP110 3.4 46.1 1.0
CE2 C:TRP110 3.4 47.0 1.0
CB C:TYR208 3.5 70.7 1.0
CG C:TYR208 3.8 71.0 1.0
CD1 C:TYR208 3.9 71.3 1.0
CZ2 C:TRP110 4.0 47.1 1.0
C5 C:C7C1364 4.1 62.7 1.0
C3 C:C7C1364 4.1 63.1 1.0
CG C:TRP110 4.1 45.8 1.0
CD2 C:TRP110 4.1 46.6 1.0
C4 C:C7C1364 4.6 62.2 1.0
CD2 C:TYR208 4.7 71.2 1.0
CE1 C:TYR208 4.8 71.6 1.0
CA C:TYR208 4.9 70.5 1.0
CH2 C:TRP110 5.0 47.0 1.0

Chlorine binding site 4 out of 4 in 2w0u

Go back to Chlorine Binding Sites List in 2w0u
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate.


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 Human Glycolate Oxidase in Complex with the Inhibitor 5-[(4-Chlorophenyl)Sulfanyl]- 1,2,3-Thiadiazole-4- Carboxylate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1364

b:66.5
occ:1.00
CL D:C7C1364 0.0 66.5 1.0
C1 D:C7C1364 1.8 65.0 1.0
C6 D:C7C1364 2.8 64.4 1.0
C2 D:C7C1364 2.8 64.5 1.0
NE1 D:TRP110 2.9 48.1 1.0
CD1 D:TRP110 3.2 47.9 1.0
CB D:TYR208 3.5 73.3 1.0
CE2 D:TRP110 3.7 48.9 1.0
CG D:TYR208 3.7 74.3 1.0
CG D:TRP110 4.0 47.4 1.0
C3 D:C7C1364 4.1 63.8 1.0
C5 D:C7C1364 4.1 63.6 1.0
CD1 D:TYR208 4.1 74.8 1.0
CD2 D:TYR208 4.3 75.1 1.0
CD2 D:TRP110 4.3 48.6 1.0
CZ2 D:TRP110 4.4 49.4 1.0
C4 D:C7C1364 4.6 63.0 1.0
CA D:TYR208 4.9 73.1 1.0
CE1 D:TYR208 4.9 75.2 1.0

Reference:

J.M.Bourhis, C.Vignaud, N.Pietrancosta, F.Gueritte, D.Guenard, F.Lederer, Y.Lindqvist. Structure of Human Glycolate Oxidase in Complex with the Inhibitor 4-Carboxy-5-[(4-Chlorophenyl)Sulfanyl]-1,2, 3-Thiadiazole. Acta Crystallogr.,Sect.F V. 65 1246 2009.
ISSN: ESSN 1744-3091
PubMed: 20054120
DOI: 10.1107/S1744309109041670
Page generated: Sat Jul 20 12:27:01 2024

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