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Chlorine in PDB 2fjm: The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2

Enzymatic activity of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2

All present enzymatic activity of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2:
3.1.3.48;

Protein crystallography data

The structure of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2, PDB code: 2fjm was solved by E.Asante-Appiah, S.Patel, C.Desponts, J.M.Taylor, C.Lau, C.Dufresne, M.Therien, R.Friesen, J.W.Becker, Y.Leblanc, G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.431, 86.621, 139.193, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 21.7

Other elements in 2fjm:

The structure of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2 also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2 (pdb code 2fjm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2, PDB code: 2fjm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2fjm

Go back to Chlorine Binding Sites List in 2fjm
Chlorine binding site 1 out of 2 in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl799

b:29.5
occ:1.00
CD A:ARG524 2.9 44.6 0.5
NH2 A:ARG754 3.3 40.5 1.0
O B:HOH856 3.3 37.7 1.0
NE2 A:GLN762 3.3 37.7 1.0
NH1 A:ARG754 3.4 41.0 1.0
CD A:ARG524 3.4 46.0 0.5
NH1 A:ARG524 3.5 40.9 0.5
NE A:ARG524 3.5 40.8 0.5
NH2 B:ARG524 3.6 46.4 0.5
CA A:GLY759 3.7 41.0 1.0
C48 A:073800 3.7 29.5 1.0
CZ A:ARG754 3.8 42.6 1.0
CZ A:ARG524 3.8 43.0 0.5
CG A:ARG524 3.9 44.3 0.5
OH A:TYR520 4.0 42.1 1.0
C49 A:073800 4.1 27.2 1.0
CG A:ARG524 4.2 43.0 0.5
NH1 A:ARG524 4.3 48.4 0.5
O A:GLY759 4.4 40.7 1.0
C A:GLY759 4.4 40.8 1.0
CD A:GLN762 4.5 40.8 1.0
O B:HOH892 4.6 42.3 1.0
NE A:ARG524 4.6 49.0 0.5
N A:GLY759 4.7 41.6 1.0
CB A:ARG524 4.7 42.1 0.5
CB A:ARG524 4.7 41.9 0.5
OE1 A:GLN762 4.8 43.2 1.0
O A:ILE761 4.8 41.2 1.0
CZ A:ARG524 4.9 48.1 0.5
C47 A:073800 4.9 28.3 1.0
O A:HOH806 4.9 30.1 1.0
NH2 A:ARG524 4.9 42.6 0.5
CZ B:ARG524 4.9 45.2 0.5

Chlorine binding site 2 out of 2 in 2fjm

Go back to Chlorine Binding Sites List in 2fjm
Chlorine binding site 2 out of 2 in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl799

b:29.5
occ:1.00
O A:HOH854 3.1 40.1 1.0
CD B:ARG524 3.1 38.8 0.5
NE2 B:GLN762 3.3 39.5 1.0
NH2 B:ARG754 3.4 39.7 1.0
CG B:ARG524 3.4 41.8 0.5
NH1 B:ARG754 3.5 41.4 1.0
CD B:ARG524 3.5 42.4 0.5
C46 B:073801 3.7 28.4 1.0
NE B:ARG524 3.7 35.9 0.5
NH1 B:ARG524 3.7 36.1 0.5
CA B:GLY759 3.7 40.9 1.0
CZ B:ARG754 3.8 42.4 1.0
CZ B:ARG524 3.9 38.4 0.5
OH B:TYR520 4.0 43.0 1.0
C45 B:073801 4.0 26.5 1.0
CG B:ARG524 4.2 41.6 0.5
CD B:GLN762 4.4 41.7 1.0
C B:GLY759 4.5 40.6 1.0
O B:GLY759 4.5 40.9 1.0
O A:HOH886 4.5 42.6 1.0
NH2 A:ARG524 4.5 48.8 0.5
NE B:ARG524 4.6 44.0 0.5
CB B:ARG524 4.7 41.7 0.5
N B:GLY759 4.7 41.5 1.0
OE1 B:GLN762 4.7 41.9 1.0
CB B:ARG524 4.8 41.5 0.5
O B:ILE761 4.8 39.7 1.0
C47 B:073801 4.8 28.5 1.0
O B:HOH806 4.9 30.3 1.0
NH2 B:ARG524 5.0 37.8 0.5

Reference:

E.Asante-Appiah, S.Patel, C.Desponts, J.M.Taylor, C.Lau, C.Dufresne, M.Therien, R.Friesen, J.W.Becker, Y.Leblanc, B.P.Kennedy, G.Scapin. Conformation-Assisted Inhibition of Protein-Tyrosine Phosphatase-1B Elicits Inhibitor Selectivity Over T-Cell Protein-Tyrosine Phosphatase. J.Biol.Chem. V. 281 8010 2006.
ISSN: ISSN 0021-9258
PubMed: 16407290
DOI: 10.1074/JBC.M511827200
Page generated: Thu Jul 10 22:10:12 2025

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