Fluorine in PDB 4jz1: Crystal Structure of Matriptase in Complex with Inhibitor

All present enzymatic activity of Crystal Structure of Matriptase in Complex with Inhibitor:
3.4.21.109;

The structure of Crystal Structure of Matriptase in Complex with Inhibitor, PDB code: 4jz1 was solved by H.S.Subramanya, B.C.Ravi, K.N.Ashok, G.Chakshusmathi, K.S.Ramesh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.06 / 1.90
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.765, 140.954, 51.811, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.1

The binding sites of Fluorine atom in the Crystal Structure of Matriptase in Complex with Inhibitor (pdb code 4jz1). 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 Crystal Structure of Matriptase in Complex with Inhibitor, PDB code: 4jz1:

Fluorine binding site 1 out of 1 in the Crystal Structure of Matriptase in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Matriptase in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:22.3 occ:1.00 F1 A:F4D900 0.0 22.3 1.0 C21 A:F4D900 1.4 21.2 1.0 C22 A:F4D900 2.4 21.1 1.0 C20 A:F4D900 2.4 20.4 1.0 C23 A:F4D900 3.6 20.9 1.0 C19 A:F4D900 3.7 20.9 1.0 C18 A:F4D900 4.2 19.4 1.0 O A:HIS57 4.3 9.3 1.0 CE2 A:TYR60G 4.9 11.5 1.0 CD2 A:TYR60G 5.0 9.0 1.0

R.Goswami, S.Mukherjee, G.Wohlfahrt, C.Ghadiyaram, J.Nagaraj, B.R.Chandra, R.K.Sistla, L.K.Satyam, D.S.Samiulla, A.Moilanen, H.S.Subramanya, M.Ramachandra. Discovery of Pyridyl Bis(Oxy)Dibenzimidamide Derivatives As Selective Matriptase Inhibitors Acs Med.Chem.Lett. V. 4 1152 2014.
ISSN: ISSN 1948-5875
DOI: 10.1021/ML400213V