Atomistry » Fluorine » PDB 1fko-1h1d » 1gj8
Atomistry »
  Fluorine »
    PDB 1fko-1h1d »
      1gj8 »

Fluorine in PDB 1gj8: Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets

Enzymatic activity of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets

All present enzymatic activity of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets:
3.4.21.73;

Protein crystallography data

The structure of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets, PDB code: 1gj8 was solved by B.A.Katz, P.A.Sprengeler, C.Luong, E.Verner, J.R.Spencer, J.G.Breitenbucher, H.Hui, D.Mcgee, D.Allen, A.Martelli, R.L.Mackman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.770, 50.020, 66.940, 90.00, 113.76, 90.00
R / Rfree (%) 18.8 / 22.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets (pdb code 1gj8). 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 Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets, PDB code: 1gj8:

Fluorine binding site 1 out of 1 in 1gj8

Go back to Fluorine Binding Sites List in 1gj8
Fluorine binding site 1 out of 1 in the Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F251

b:24.6
occ:1.00
F2 B:133251 0.0 24.6 1.0
C2 B:133251 1.3 17.1 1.0
HH21 B:133251 2.0 20.1 1.0
H2 B:HOH351 2.3 26.2 1.0
C3 B:133251 2.3 15.3 1.0
C1 B:133251 2.4 16.8 1.0
HC3 B:133251 2.6 15.0 1.0
HG12 B:VAL213 2.6 9.5 1.0
HG11 B:VAL213 2.7 10.4 1.0
HB2 B:SER190 2.7 13.8 1.0
N2 B:133251 2.7 19.4 1.0
O B:HOH351 2.7 28.6 1.0
C7 B:133251 2.9 18.3 1.0
CG1 B:VAL213 2.9 7.9 1.0
HG13 B:VAL213 3.0 10.7 1.0
OG B:SER190 3.1 14.6 1.0
CB B:SER190 3.3 12.1 1.0
C4 B:133251 3.5 17.5 1.0
H1 B:HOH351 3.6 27.4 1.0
HH22 B:133251 3.6 19.3 1.0
HB2 B:ASP194 3.6 8.3 1.0
HG B:SER190 3.6 12.2 1.0
C6 B:133251 3.7 15.9 1.0
N B:CYS191 3.9 14.6 1.0
H B:CYS191 3.9 14.9 1.0
C B:SER190 4.0 14.0 1.0
O B:CYS191 4.0 13.0 1.0
HA B:CYS191 4.0 13.4 1.0
C5 B:133251 4.0 17.8 1.0
HB3 B:SER190 4.1 14.5 1.0
N1 B:133251 4.2 20.3 1.0
CA B:SER190 4.3 15.7 1.0
O B:TRP215 4.3 15.9 1.0
CA B:CYS191 4.3 12.2 1.0
C B:CYS191 4.3 12.7 1.0
HA B:TRP215 4.3 14.7 1.0
O B:SER190 4.4 12.3 1.0
CB B:VAL213 4.4 11.8 1.0
HC6 B:133251 4.6 15.3 1.0
H B:SER214 4.6 13.1 1.0
C B:TRP215 4.6 15.9 1.0
CB B:ASP194 4.6 10.4 1.0
HA B:SER195 4.6 12.5 1.0
N B:TRP215 4.7 14.1 1.0
N3 B:133251 4.7 17.4 1.0
HB3 B:ASP194 4.7 10.0 1.0
HH12 B:133251 4.7 21.1 1.0
CA B:TRP215 4.8 13.5 1.0
N B:SER214 4.8 11.2 1.0
C B:SER214 4.8 14.7 1.0
HA B:VAL213 4.8 12.4 1.0
HH11 B:133251 4.8 20.9 1.0
H B:TRP215 4.9 15.4 1.0
H B:SER195 4.9 14.1 1.0
O B:SER214 4.9 15.9 1.0
H B:SER190 4.9 15.8 1.0
C B:VAL213 5.0 13.2 1.0
HB B:VAL213 5.0 11.9 1.0
CA B:VAL213 5.0 11.7 1.0
N B:SER195 5.0 14.2 1.0
H B:VAL227 5.0 15.6 1.0

Reference:

B.A.Katz, P.A.Sprengeler, C.Luong, E.Verner, K.Elrod, M.Kirtley, J.Janc, J.R.Spencer, J.G.Breitenbucher, H.Hui, D.Mcgee, D.Allen, A.Martelli, R.L.Mackman. Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets. Chem.Biol. V. 8 1107 2001.
ISSN: ISSN 1074-5521
PubMed: 11731301
DOI: 10.1016/S1074-5521(01)00084-9
Page generated: Sun Dec 13 11:29:48 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy