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Chlorine in PDB 1q6p: The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6

Enzymatic activity of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6

All present enzymatic activity of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6:
3.1.3.48;

Protein crystallography data

The structure of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6, PDB code: 1q6p was solved by G.Scapin, S.B.Patel, J.W.Becker, Q.Wang, C.Desponts, D.Waddleton, K.Skorey, W.Cromlish, C.Bayly, M.Therien, J.Y.Gauthier, C.S.Li, C.K.Lau, C.Ramachandran, B.P.Kennedy, E.Asante-Appiah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.945, 88.045, 139.228, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1q6p:

The structure of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6 also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6 (pdb code 1q6p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6, PDB code: 1q6p:

Chlorine binding site 1 out of 1 in 1q6p

Go back to Chlorine Binding Sites List in 1q6p
Chlorine binding site 1 out of 1 in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 6


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 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:27.3
occ:1.00
 CD A:ARG524 3.1 29.3 1.0
NH1 A:ARG754 3.2 18.8 1.0
NE2 A:GLN762 3.3 17.6 1.0
NH2 A:ARG754 3.3 19.0 1.0
NH1 A:ARG524 3.7 31.3 1.0
CZ A:ARG754 3.7 19.9 1.0
CA A:GLY759 3.8 20.7 1.0
C65 A:213801 3.8 28.6 1.0
CG A:ARG524 3.9 29.0 1.0
O A:HOH3154 3.9 43.4 1.0
O A:HOH3165 4.0 39.6 1.0
C66 A:213801 4.0 26.9 1.0
OH A:TYR520 4.1 21.9 1.0
NE A:ARG524 4.2 32.4 1.0
O A:HOH3185 4.3 39.4 1.0
CZ A:ARG524 4.4 32.7 1.0
CD A:GLN762 4.4 22.0 1.0
C64 A:213801 4.5 29.1 1.0
CB A:ARG524 4.5 25.7 1.0
C A:GLY759 4.5 22.1 1.0
O A:GLY759 4.5 22.7 1.0
N A:GLY759 4.7 22.3 1.0
OE1 A:GLN762 4.8 22.5 1.0
O A:HOH3019 4.8 20.3 1.0
C61 A:213801 4.8 27.2 1.0
O A:ILE761 4.8 21.7 1.0

Reference:

G.Scapin, S.B.Patel, J.W.Becker, Q.Wang, C.Desponts, D.Waddleton, K.Skorey, W.Cromlish, C.Bayly, M.Therien, J.Y.Gauthier, C.S.Li, C.K.Lau, C.Ramachandran, B.P.Kennedy, E.Asante-Appiah. The Structural Basis For the Selectivity of Benzotriazole Inhibitors of PTP1B Biochemistry V. 42 11451 2003.
ISSN: ISSN 0006-2960
PubMed: 14516196
DOI: 10.1021/BI035098J
Page generated: Sat Jul 20 01:23:37 2024

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