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Fluorine in PDB 1bzj: Human PTP1B Complexed with Tpicooh

Enzymatic activity of Human PTP1B Complexed with Tpicooh

All present enzymatic activity of Human PTP1B Complexed with Tpicooh:
3.1.3.48;

Protein crystallography data

The structure of Human PTP1B Complexed with Tpicooh, PDB code: 1bzj was solved by M.R.Groves, Z.-J.Yao, D.T.B.Barford Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.25
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.450, 88.450, 104.880, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / n/a

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human PTP1B Complexed with Tpicooh (pdb code 1bzj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human PTP1B Complexed with Tpicooh, PDB code: 1bzj:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 1bzj

Go back to Fluorine Binding Sites List in 1bzj
Fluorine binding site 1 out of 2 in the Human PTP1B Complexed with Tpicooh


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human PTP1B Complexed with Tpicooh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:36.9
occ:1.00
F1 A:PIC301 0.0 36.9 1.0
C1 A:PIC301 1.4 32.7 1.0
F2 A:PIC301 2.2 32.8 1.0
C2 A:PIC301 2.3 31.7 1.0
P A:PIC301 2.6 30.8 1.0
H A:PHE182 2.6 0.0 1.0
C3 A:PIC301 2.8 32.3 1.0
OP1 A:PIC301 3.0 30.6 1.0
CB A:ASP181 3.3 40.7 1.0
OP3 A:PIC301 3.3 27.5 1.0
HH21 A:ARG221 3.4 0.0 1.0
N A:PHE182 3.4 29.9 1.0
C11 A:PIC301 3.5 30.8 1.0
HE A:ARG221 3.5 0.0 1.0
CA A:ASP181 3.6 33.6 1.0
C A:ASP181 3.9 32.3 1.0
NH2 A:ARG221 3.9 15.6 1.0
OP2 A:PIC301 3.9 22.7 1.0
CE2 A:PHE182 3.9 31.5 1.0
CD2 A:PHE182 3.9 31.3 1.0
CZ A:PHE182 4.0 31.2 1.0
NE A:ARG221 4.0 13.5 1.0
CG A:PHE182 4.1 32.2 1.0
CE1 A:PHE182 4.1 30.4 1.0
C4 A:PIC301 4.1 31.6 1.0
H A:ARG221 4.2 0.0 1.0
CD1 A:PHE182 4.2 31.7 1.0
CZ A:ARG221 4.2 15.7 1.0
CA A:PHE182 4.4 30.6 1.0
HE21 A:GLN266 4.5 0.0 1.0
HH22 A:ARG221 4.5 0.0 1.0
CG A:ASP181 4.5 48.9 1.0
O A:HOH479 4.5 41.3 1.0
H2 A:HOH479 4.6 0.0 1.0
H1 A:HOH479 4.6 0.0 1.0
C10 A:PIC301 4.6 29.6 1.0
H A:GLY220 4.6 0.0 1.0
OD2 A:ASP181 4.7 49.2 1.0
H A:ALA217 4.7 0.0 1.0
CB A:PHE182 4.9 30.0 1.0
C5 A:PIC301 4.9 30.5 1.0
O A:ASP181 4.9 36.2 1.0
CD A:ARG221 4.9 11.7 1.0
N A:ASP181 5.0 28.3 1.0
CG A:ARG221 5.0 11.5 1.0
CA A:GLY220 5.0 11.6 1.0

Fluorine binding site 2 out of 2 in 1bzj

Go back to Fluorine Binding Sites List in 1bzj
Fluorine binding site 2 out of 2 in the Human PTP1B Complexed with Tpicooh


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human PTP1B Complexed with Tpicooh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:32.8
occ:1.00
F2 A:PIC301 0.0 32.8 1.0
C1 A:PIC301 1.4 32.7 1.0
F1 A:PIC301 2.2 36.9 1.0
C2 A:PIC301 2.3 31.7 1.0
C11 A:PIC301 2.6 30.8 1.0
P A:PIC301 2.6 30.8 1.0
H A:GLY220 3.1 0.0 1.0
OP1 A:PIC301 3.1 30.6 1.0
CG A:GLN262 3.1 31.2 1.0
OP2 A:PIC301 3.1 22.7 1.0
CA A:GLY220 3.3 11.6 1.0
N A:GLY220 3.6 13.4 1.0
H A:PHE182 3.6 0.0 1.0
C3 A:PIC301 3.6 32.3 1.0
CE1 A:PHE182 3.6 30.4 1.0
H A:ARG221 3.6 0.0 1.0
CB A:GLN262 3.6 23.8 1.0
CD1 A:PHE182 3.8 31.7 1.0
HE21 A:GLN266 4.0 0.0 1.0
C10 A:PIC301 4.0 29.6 1.0
CZ A:PHE182 4.0 31.2 1.0
OP3 A:PIC301 4.1 27.5 1.0
CD A:GLN262 4.3 31.2 1.0
N A:ARG221 4.3 12.6 1.0
N A:PHE182 4.4 29.9 1.0
C A:GLY220 4.4 14.0 1.0
CG A:PHE182 4.4 32.2 1.0
HE A:ARG221 4.5 0.0 1.0
CG1 A:ILE219 4.6 13.2 1.0
CE2 A:PHE182 4.6 31.5 1.0
OE1 A:GLN262 4.6 34.9 1.0
H A:GLN262 4.7 0.0 1.0
C4 A:PIC301 4.7 31.6 1.0
H A:ILE219 4.8 0.0 1.0
CD2 A:PHE182 4.8 31.3 1.0
C A:ILE219 4.8 14.4 1.0
CA A:PHE182 4.8 30.6 1.0
C9 A:PIC301 4.9 30.2 1.0
C5 A:PIC301 4.9 30.5 1.0
NE2 A:GLN266 4.9 14.5 1.0
HH21 A:ARG221 4.9 0.0 1.0

Reference:

M.R.Groves, Z.-J.Yao, P.P.Roller, T.R.Burke Jr., D.Barford. Structural Basis For Inhibition of the Protein Tyrosine Phosphatase 1B By Phosphotyrosine Peptide Mimetics. Biochemistry V. 37 17773 1998.
ISSN: ISSN 0006-2960
PubMed: 9922143
DOI: 10.1021/BI9816958
Page generated: Sun Dec 13 11:28:35 2020

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