Fluorine in PDB 1bzh: Cyclic Peptide Inhibitor of Human PTP1B

All present enzymatic activity of Cyclic Peptide Inhibitor of Human PTP1B:
3.1.3.48;

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

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.690, 86.820, 52.000, 90.00, 96.91, 90.00
R / Rfree (%)	19.6 / 26.2

The binding sites of Fluorine atom in the Cyclic Peptide Inhibitor of Human PTP1B (pdb code 1bzh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Cyclic Peptide Inhibitor of Human PTP1B, PDB code: 1bzh:

Fluorine binding site 1 out of 1 in the Cyclic Peptide Inhibitor of Human PTP1B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cyclic Peptide Inhibitor of Human PTP1B within 5.0Å range: probe atom residue distance (Å) B Occ I:F405 b:77.7 occ:1.00 F1 I:FLT405 0.0 77.7 1.0 C1 I:FLT405 1.4 76.1 1.0 OH I:FLT405 2.3 75.9 1.0 C3 I:FLT405 2.3 76.5 1.0 C2 I:FLT405 2.4 75.7 1.0 O3 I:FLT405 2.6 74.5 1.0 O1 I:FLT405 2.7 74.2 1.0 CZ I:FLT405 2.9 76.6 1.0 CE1 I:FLT405 2.9 75.7 1.0 O2 I:FLT405 3.4 78.6 1.0 O4 I:FLT405 3.5 72.1 1.0 O A:HOH348 3.9 76.0 1.0 NH1 A:ARG221 3.9 70.8 1.0 CD1 I:FLT405 4.3 75.9 1.0 CE2 I:FLT405 4.3 75.5 1.0 CB A:SER216 4.4 55.1 1.0 N A:ALA217 4.8 53.7 1.0 CZ A:ARG221 4.9 72.0 1.0

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