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Chlorine in PDB 2ahs: Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta, PDB code: 2ahs was solved by E.Ugochukwu, J.Eswaran, A.Barr, O.Gileadi, F.Sobott, N.Burgess, L.Ball, J.Bray, F.Von Delft, J.Debreczeni, G.Bunkoczi, A.Turnbull, S.Das, J.Weigelt, A.Edwards, C.Arrowsmith, M.Sundstrom, S.Knapp, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.40 / 2.10
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 123.368, 123.368, 179.569, 90.00, 90.00, 120.00
R / Rfree (%) 15.2 / 20.6

Other elements in 2ahs:

The structure of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta (pdb code 2ahs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta, PDB code: 2ahs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 2ahs

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Chlorine binding site 1 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


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 the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:74.5
occ:1.00
 O A:ASN1766 3.7 30.6 1.0
O A:GLY1765 3.8 29.0 1.0
N A:PHE1768 3.9 27.1 1.0
C A:ASN1767 3.9 35.5 1.0
O A:ASN1767 4.0 36.1 1.0
C A:PHE1768 4.0 22.5 1.0
CA A:PHE1768 4.2 28.5 1.0
C A:ASN1766 4.2 27.8 1.0
O A:PHE1768 4.2 18.8 1.0
CD A:ARG1769 4.3 63.3 1.0
N A:ARG1769 4.3 23.2 1.0
N A:ASN1767 4.4 26.6 1.0
CA A:ASN1767 4.5 34.9 1.0
C A:GLY1765 4.9 16.4 1.0
NH1 A:ARG1769 4.9 61.8 1.0
CA A:ARG1769 4.9 26.7 1.0
CG A:ARG1769 4.9 45.4 1.0

Chlorine binding site 2 out of 9 in 2ahs

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Chlorine binding site 2 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


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 the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:54.0
occ:1.00
 N A:ARG1770 3.2 26.4 1.0
O A:HOH229 3.3 36.1 1.0
CB A:ARG1770 3.7 22.4 1.0
N A:ARG1769 3.7 23.2 1.0
CA A:ARG1770 3.9 22.4 1.0
CG A:ARG1770 4.0 25.4 1.0
CB A:PHE1768 4.0 28.8 1.0
C A:ARG1769 4.1 19.7 1.0
CB A:ARG1769 4.2 31.5 1.0
CA A:ARG1769 4.2 26.7 1.0
C A:ARG1770 4.2 20.6 1.0
O A:ARG1770 4.3 22.9 1.0
CD A:ARG1770 4.4 19.8 1.0
C A:PHE1768 4.5 22.5 1.0
CA A:PHE1768 4.6 28.5 1.0
CG A:PHE1768 4.9 39.4 1.0
CD1 A:PHE1768 4.9 42.9 1.0

Chlorine binding site 3 out of 9 in 2ahs

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Chlorine binding site 3 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


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 the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl807

b:68.0
occ:1.00
 O A:HOH201 2.9 21.0 1.0
OD1 A:ASP1720 3.4 34.0 1.0
CD1 A:LEU1723 3.6 27.5 1.0
CB A:LEU1723 3.9 20.0 1.0
O A:HOH302 4.0 36.3 1.0
O A:HOH664 4.1 58.0 1.0
CG A:ASP1720 4.3 19.7 1.0
CA A:ASP1720 4.3 20.9 1.0
CG A:LEU1723 4.4 20.9 1.0
CB A:ASP1720 4.5 24.8 1.0
O A:ASP1720 4.7 21.8 1.0

Chlorine binding site 4 out of 9 in 2ahs

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Chlorine binding site 4 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


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 the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:57.7
occ:1.00
 N B:GLU1726 3.1 19.4 1.0
CB B:GLU1726 3.3 40.0 1.0
SG B:CYS1754 3.7 42.2 1.0
CD B:PRO1725 3.7 15.5 1.0
CA B:GLU1726 3.8 24.6 1.0
CB B:PRO1725 3.9 16.8 1.0
N B:PRO1725 3.9 13.9 1.0
C B:PRO1725 4.1 21.1 1.0
CG B:PRO1725 4.1 22.6 1.0
CA B:PRO1725 4.2 17.8 1.0
OE1 B:GLU1726 4.3 69.1 1.0
CG B:GLU1726 4.5 73.6 1.0
C B:LEU1724 4.5 18.8 1.0
CB B:LEU1724 4.6 18.0 1.0
CD B:GLU1726 4.8 68.1 1.0
CB B:CYS1754 4.9 33.2 1.0

Chlorine binding site 5 out of 9 in 2ahs

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Chlorine binding site 5 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl804

b:77.4
occ:1.00
 OE2 B:GLU1840 3.1 45.4 1.0
CA B:SER1879 4.0 20.9 1.0
OE1 B:GLN1882 4.0 60.3 1.0
CD B:GLU1840 4.1 34.7 1.0
O B:HOH299 4.1 37.0 1.0
O B:GLN1878 4.1 18.7 1.0
OE1 B:GLN1878 4.2 57.6 1.0
CB B:GLN1882 4.4 29.4 1.0
N B:SER1879 4.4 20.4 1.0
C B:GLN1878 4.5 20.2 1.0
OE1 B:GLU1840 4.5 55.8 1.0
CD B:GLN1878 4.5 82.7 1.0
CH2 B:TRP1841 4.6 19.6 1.0
CG B:GLN1878 4.7 48.9 1.0
CB B:SER1879 4.7 21.3 1.0
CZ3 B:TRP1841 4.7 26.4 1.0
CG B:GLN1882 4.8 70.2 1.0
O B:SER1879 4.8 26.1 1.0
CD B:GLN1882 4.8 70.6 1.0
OG B:SER1879 4.9 28.9 1.0
C B:SER1879 4.9 26.4 1.0
O1 B:EDO728 5.0 41.8 0.8

Chlorine binding site 6 out of 9 in 2ahs

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Chlorine binding site 6 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl805

b:74.6
occ:1.00
 OG B:SER1836 3.1 27.5 1.0
O B:ILE1843 3.6 17.8 1.0
CB B:SER1834 3.6 13.4 1.0
CB B:SER1836 4.0 23.9 1.0
N B:SER1836 4.1 20.1 1.0
CG B:GLU1845 4.2 17.7 1.0
CD B:GLU1845 4.2 21.7 1.0
C B:ILE1843 4.3 22.1 1.0
OE2 B:GLU1845 4.4 28.6 1.0
C B:SER1834 4.4 17.5 1.0
N B:GLU1835 4.4 15.9 1.0
CG2 B:ILE1843 4.4 16.2 1.0
C B:GLU1835 4.4 15.4 1.0
CB B:ILE1843 4.6 16.5 1.0
CA B:GLU1835 4.6 18.6 1.0
OG B:SER1834 4.6 13.8 1.0
OE1 B:GLU1845 4.6 19.2 1.0
CA B:SER1834 4.7 13.5 1.0
CA B:SER1836 4.7 22.0 1.0
O B:SER1834 4.7 12.6 1.0
CA B:ARG1844 4.8 15.6 1.0
N B:ARG1844 4.9 20.0 1.0
N B:GLU1845 4.9 18.3 1.0
C B:ARG1844 4.9 21.6 1.0

Chlorine binding site 7 out of 9 in 2ahs

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Chlorine binding site 7 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl808

b:77.1
occ:1.00
 O A:HOH71 2.9 21.0 1.0
O B:ARG1732 3.4 16.1 1.0
CD1 B:TYR1733 3.5 18.8 1.0
CE1 B:TYR1733 3.5 23.8 1.0
O A:HOH559 3.7 46.0 1.0
OD2 A:ASP1784 3.8 26.6 1.0
O A:HOH51 3.9 18.7 1.0
O B:HOH390 4.2 32.6 1.0
O A:PRO1780 4.3 18.6 1.0
CG A:ASP1784 4.3 32.7 1.0
CZ B:TYR1733 4.4 25.8 1.0
CG B:TYR1733 4.4 23.6 1.0
C B:ARG1732 4.5 23.1 1.0
O A:HOH414 4.5 44.3 1.0
O A:HOH421 4.5 46.2 1.0
O A:HOH83 4.5 32.9 1.0
CA A:GLY1781 4.7 19.2 1.0
CA B:TYR1733 4.7 15.7 1.0
O A:GLY1781 4.7 24.3 1.0
OD1 A:ASP1784 4.8 19.1 1.0
C A:GLY1781 4.9 17.7 1.0
CG B:ARG1732 5.0 19.3 1.0
O A:HOH454 5.0 41.8 1.0
CB A:ASP1784 5.0 21.1 1.0

Chlorine binding site 8 out of 9 in 2ahs

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Chlorine binding site 8 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl809

b:61.5
occ:1.00
 OE1 B:GLN1717 3.2 26.5 1.0
O B:LEU1941 3.4 22.7 1.0
CD B:GLN1717 4.1 20.2 1.0
C B:LEU1941 4.1 15.9 1.0
CG2 B:THR1742 4.2 16.9 1.0
NE2 B:GLN1717 4.3 21.2 1.0
CB B:LEU1941 4.3 23.0 1.0
NE2 B:HIS1942 4.5 16.8 1.0
CD2 B:HIS1942 4.6 16.1 1.0
O B:HOH332 4.6 35.6 1.0
CA B:LEU1941 4.8 17.6 1.0
CE1 B:HIS1942 4.8 29.5 1.0
N B:HIS1942 4.9 16.9 1.0
CG B:HIS1942 5.0 10.8 1.0

Chlorine binding site 9 out of 9 in 2ahs

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Chlorine binding site 9 out of 9 in the Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl810

b:67.9
occ:1.00
 NZ B:LYS1788 3.0 46.5 1.0
O B:ASN1748 3.7 29.9 1.0
CE B:LYS1788 3.7 33.0 1.0
ND2 B:ASN1748 4.0 37.9 1.0
O B:HOH305 4.3 41.7 1.0
OD2 B:ASP1827 4.3 54.5 1.0
CG B:ASP1827 4.6 45.3 1.0
OD1 B:ASP1827 4.6 33.7 1.0
CG B:ASN1748 4.8 39.6 1.0
C B:ASN1748 4.8 28.9 1.0
O B:HOH391 5.0 40.5 1.0

Reference:

A.J.Barr, E.Ugochukwu, W.H.Lee, O.N.King, P.Filippakopoulos, I.Alfano, P.Savitsky, N.A.Burgess-Brown, S.Muller, S.Knapp. Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome. Cell(Cambridge,Mass.) V. 136 352 2009.
ISSN: ISSN 0092-8674
PubMed: 19167335
DOI: 10.1016/J.CELL.2008.11.038
Page generated: Sat Jul 20 05:14:28 2024

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