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Chlorine in PDB 3qcm: Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid
Enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid
All present enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic 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 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid, PDB code: 3qcm
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.52 / 2.40 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 59.600, 74.600, 81.900, 90.00, 98.30, 90.00 |
| R / Rfree (%) | 20 / 24.4 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid
(pdb code 3qcm). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid, PDB code: 3qcm:
Jump to Chlorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Chlorine where determined in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid, PDB code: 3qcm:
Jump to Chlorine binding site number: 1; 2; 3; 4;
Chlorine binding site 1 out of 4 in 3qcm
Go back to
Chlorine Binding Sites List in 3qcm
Chlorine binding site 1 out
of 4 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic 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 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid within 5.0Å range:
|
Chlorine binding site 2 out of 4 in 3qcm
Go back to
Chlorine Binding Sites List in 3qcm
Chlorine binding site 2 out
of 4 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic 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 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid within 5.0Å range:
|
Chlorine binding site 3 out of 4 in 3qcm
Go back to
Chlorine Binding Sites List in 3qcm
Chlorine binding site 3 out
of 4 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic 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 3 of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic Acid within 5.0Å range:
|
Chlorine binding site 4 out of 4 in 3qcm
Go back to
Chlorine Binding Sites List in 3qcm
Chlorine binding site 4 out
of 4 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic 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 4 of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 2-[(3,4-Dichlorobenzyl)Sulfanyl]-4-{[3-({N-[2- (Methylamino)Ethyl]Glycyl}Amino)Phenyl]Ethynyl}Benzoic 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 02:52:07 2024
ISSN: ISSN 0022-2623
PubMed: 21882820
DOI: 10.1021/JM2003766
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