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Chlorine in PDB 2hc1: Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta.

Enzymatic activity of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta.

All present enzymatic activity of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta.:
3.1.3.48;

Protein crystallography data

The structure of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta., PDB code: 2hc1 was solved by A.G.Evdokimov, M.Pokross, R.Walter, M.Mekel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.88 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.060, 70.714, 118.455, 90.00, 90.00, 90.00
R / Rfree (%) 13.4 / 17.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta. (pdb code 2hc1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta., PDB code: 2hc1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2hc1

Go back to Chlorine Binding Sites List in 2hc1
Chlorine binding site 1 out of 2 in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:10.2
occ:1.00
O A:HOH408 3.1 24.3 1.0
N A:ASN1767 3.2 8.7 1.0
N A:PHE1768 3.5 8.0 1.0
CA A:GLY1765 3.6 9.8 1.0
N A:ASN1766 3.6 9.1 1.0
CB A:ASN1767 3.7 9.1 1.0
C A:GLY1765 3.8 8.6 1.0
CA A:ASN1767 3.8 9.0 1.0
O A:PHE1768 3.9 7.0 1.0
C A:ASN1767 4.0 9.3 1.0
O A:HOH369 4.3 20.0 1.0
C A:ASN1766 4.3 9.8 1.0
OE2 A:GLU1771 4.4 9.4 1.0
CA A:PHE1768 4.4 6.4 1.0
CD A:GLU1771 4.4 8.8 1.0
CB A:PHE1768 4.5 7.5 1.0
ND2 A:ASN1767 4.5 12.9 1.0
CA A:ASN1766 4.5 9.1 1.0
N A:GLY1765 4.5 8.2 1.0
O A:GLY1765 4.6 10.0 1.0
C A:PHE1768 4.6 6.9 1.0
CG A:ASN1767 4.7 10.2 1.0
CG A:GLU1771 4.7 7.1 1.0
CB A:GLU1771 4.8 7.0 1.0
O A:HOH387 4.8 14.9 1.0
OE1 A:GLU1771 4.8 10.8 1.0
O A:HOH440 4.9 13.5 1.0

Chlorine binding site 2 out of 2 in 2hc1

Go back to Chlorine Binding Sites List in 2hc1
Chlorine binding site 2 out of 2 in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:10.4
occ:1.00
O A:HOH598 3.0 18.7 1.0
O A:HOH358 3.1 12.6 1.0
O A:HOH119 3.2 13.9 1.0
N A:ARG1770 3.2 5.8 1.0
N A:PRO1764 3.6 7.0 1.0
CA A:PRO1764 3.6 6.9 1.0
CB A:PRO1764 3.7 9.0 1.0
CB A:TYR1762 3.8 7.9 1.0
CG A:ARG1770 3.8 7.7 1.0
CB A:ARG1769 3.8 6.8 1.0
CA A:ARG1770 3.9 5.8 1.0
CD A:PRO1764 3.9 7.4 1.0
C A:ILE1763 4.0 7.2 1.0
CA A:ARG1769 4.0 7.2 1.0
C A:ARG1769 4.1 6.7 1.0
CG A:PRO1764 4.2 9.1 1.0
O A:ILE1763 4.3 6.8 1.0
O A:HOH69 4.4 21.4 1.0
N A:ILE1763 4.4 7.0 1.0
CB A:ARG1770 4.5 7.2 1.0
C A:TYR1762 4.5 7.2 1.0
CG A:TYR1762 4.5 7.7 1.0
O A:HOH404 4.7 31.3 1.0
CA A:ILE1763 4.7 6.9 1.0
O A:TYR1762 4.7 8.5 1.0
O A:HOH597 4.7 22.9 1.0
CA A:TYR1762 4.8 7.0 1.0
CG A:ARG1769 4.9 6.9 1.0
NE A:ARG1770 5.0 10.0 1.0

Reference:

A.G.Evdokimov, M.Pokross, R.Walter, M.Mekel, B.Cox, C.Li, R.Bechard, F.Genbauffe, R.Andrews, C.Diven, B.Howard, V.Rastogi, J.Gray, M.Maier, K.G.Peters. Engineering the Catalytic Domain of Human Protein Tyrosine Phosphatase Beta For Structure-Based Drug Discovery. Acta Crystallogr.,Sect.D V. 62 1435 2006.
ISSN: ISSN 0907-4449
PubMed: 17139078
DOI: 10.1107/S0907444906037784
Page generated: Thu Jul 10 22:32:13 2025

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