Atomistry » Chlorine » PDB 3q18-3qck » 3qch
Atomistry »
  Chlorine »
    PDB 3q18-3qck »
      3qch »

Chlorine in PDB 3qch: Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide

Enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide

All present enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide:
3.1.3.48;

Protein crystallography data

The structure of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide, PDB code: 3qch was solved by S.Sheriff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.96 / 2.40
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 75.800, 75.800, 152.900, 90.00, 90.00, 120.00
R / Rfree (%) 24 / 27.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide (pdb code 3qch). 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 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide, PDB code: 3qch:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3qch

Go back to Chlorine Binding Sites List in 3qch
Chlorine binding site 1 out of 2 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide


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 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:66.5
occ:1.00
 CL14 A:NX22001 0.0 66.5 1.0
C13 A:NX22001 1.7 64.6 1.0
C10 A:NX22001 2.7 64.7 1.0
C12 A:NX22001 2.7 65.0 1.0
CL15 A:NX22001 3.1 63.5 1.0
CD2 A:PHE1041 3.3 42.4 1.0
CE2 A:PHE1041 3.5 40.7 1.0
CG2 A:ILE950 3.7 41.4 1.0
CG1 A:VAL1038 3.9 38.5 1.0
CG A:TYR1023 4.0 36.3 1.0
C11 A:NX22001 4.0 64.2 1.0
C9 A:NX22001 4.0 64.0 1.0
CB A:TYR1023 4.1 38.9 1.0
CD1 A:TYR1023 4.1 35.7 1.0
CD1 A:ILE950 4.4 42.6 1.0
CG1 A:ILE950 4.4 41.3 1.0
CG A:PHE1041 4.4 41.6 1.0
C8 A:NX22001 4.5 64.2 1.0
CG2 A:VAL1038 4.5 41.4 1.0
CD2 A:TYR1023 4.5 37.1 1.0
CZ A:PHE1041 4.6 38.5 1.0
CB A:ILE950 4.6 41.6 1.0
CD1 A:TYR1070 4.7 37.3 1.0
CB A:VAL1038 4.7 41.3 1.0
CE1 A:TYR1023 4.7 35.1 1.0
CB A:PHE1041 4.9 39.8 1.0
CA A:VAL1038 5.0 41.2 1.0

Chlorine binding site 2 out of 2 in 3qch

Go back to Chlorine Binding Sites List in 3qch
Chlorine binding site 2 out of 2 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide


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 3-[(3,4-Dichlorobenzyl)Sulfanyl]-N-(Methylsulfonyl) Thiophene-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:63.5
occ:1.00
 CL15 A:NX22001 0.0 63.5 1.0
C12 A:NX22001 1.7 65.0 1.0
C9 A:NX22001 2.8 64.0 1.0
C13 A:NX22001 2.8 64.6 1.0
CL14 A:NX22001 3.1 66.5 1.0
CA A:TYR1070 3.4 34.2 1.0
N A:TYR1070 3.5 31.9 1.0
CB A:TYR1070 3.6 32.9 1.0
CG1 A:VAL1038 3.8 38.5 1.0
CG2 A:THR1069 4.0 30.2 1.0
C A:THR1069 4.0 33.7 1.0
O A:ARG1066 4.0 38.2 1.0
C8 A:NX22001 4.0 64.2 1.0
C10 A:NX22001 4.1 64.7 1.0
CD1 A:TYR1070 4.1 37.3 1.0
CB A:THR1069 4.2 37.2 1.0
CD1 A:ILE950 4.4 42.6 1.0
O A:THR1069 4.4 33.7 1.0
CG A:TYR1070 4.4 36.9 1.0
CD1 A:ILE1073 4.4 38.4 1.0
C11 A:NX22001 4.6 64.2 1.0
CG2 A:VAL1042 4.7 35.7 1.0
CG2 A:ILE950 4.7 41.4 1.0
CA A:THR1069 4.8 35.8 1.0
C A:TYR1070 4.9 37.2 1.0

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: Fri Jul 11 09:21:41 2025

Last articles

Cl in 4DN1
Cl in 4DNJ
Cl in 4DMN
Cl in 4DKV
Cl in 4DKR
Cl in 4DKU
Cl in 4DJO
Cl in 4DKQ
Cl in 4DKP
Cl in 4DKO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy