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Chlorine in PDB 3qcj: Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid
Enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid
All present enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid:
3.1.3.48;
3.1.3.48;
Protein crystallography data
The structure of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid, PDB code: 3qcj
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.12 / 2.26 |
| Space group | P 32 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.700, 75.700, 152.200, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 21.4 / 23.4 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid
(pdb code 3qcj). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid, PDB code: 3qcj:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid, PDB code: 3qcj:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 3qcj
Go back to
Chlorine Binding Sites List in 3qcj
Chlorine binding site 1 out
of 2 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 3qcj
Go back to
Chlorine Binding Sites List in 3qcj
Chlorine binding site 2 out
of 2 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 5-[({3-[(3,4-Dichlorobenzyl)Sulfanyl]Thiophen-2- Yl}Carbonyl)Sulfamoyl]-2-Methoxybenzoic Acid within 5.0Å range:
|
Reference:
S.Sheriff,
B.R.Beno,
W.Zhai,
W.A.Kostich,
P.A.Mcdonnell,
K.Kish,
V.Goldfarb,
M.Gao,
S.E.Kiefer,
J.Yanchunas,
Y.Huang,
S.Shi,
S.Zhu,
C.Dzierba,
J.Bronson,
J.E.Macor,
K.K.Appiah,
R.S.Westphal,
J.O'connell,
S.W.Gerritz.
Small Molecule Receptor Protein Tyrosine Phosphatase [Gamma](Rptp[Gamma]) Ligands That Inhibit Phosphatase Activity Via Perturbation of the Tryptophan-Proline-Aspartate (Wpd) Loop J.Med.Chem. V. 54 6548 2011.
ISSN: ISSN 0022-2623
PubMed: 21882820
DOI: 10.1021/JM2003766
Page generated: Sun Jul 21 02:51:20 2024
ISSN: ISSN 0022-2623
PubMed: 21882820
DOI: 10.1021/JM2003766
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