Atomistry » Fluorine » PDB 6g0w-6gqm » 6gch
Atomistry »
  Fluorine »
    PDB 6g0w-6gqm »
      6gch »

Fluorine in PDB 6gch: Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors

Enzymatic activity of Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors

All present enzymatic activity of Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors:
3.4.21.1;

Protein crystallography data

The structure of Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors, PDB code: 6gch was solved by K.Brady, A.Wei, D.Ringe, R.H.Abeles, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.10
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.300, 69.300, 97.200, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors (pdb code 6gch). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors, PDB code: 6gch:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6gch

Go back to Fluorine Binding Sites List in 6gch
Fluorine binding site 1 out of 3 in the Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F246

b:18.3
occ:1.00
F11 G:APF246 0.0 18.3 1.0
C1 G:APF246 1.3 17.4 1.0
F12 G:APF246 2.0 19.2 1.0
F13 G:APF246 2.2 17.6 1.0
C2 G:APF246 2.3 14.3 1.0
N3 G:APF246 2.8 12.4 1.0
C3 G:APF246 2.8 13.3 1.0
NE2 F:HIS57 2.8 11.8 1.0
O G:HOH366 3.0 28.2 1.0
OG G:SER195 3.0 4.9 1.0
CN1 G:APF246 3.2 11.8 1.0
CD2 F:HIS57 3.4 11.2 1.0
CB G:SER195 3.6 5.3 1.0
O2 G:APF246 3.6 13.7 1.0
CN2 G:APF246 3.7 11.8 1.0
O F:HOH433 3.8 12.9 1.0
ON1 G:APF246 3.8 12.2 1.0
CE1 F:HIS57 4.0 11.5 1.0
C4 G:APF246 4.3 13.3 1.0
O F:HOH369 4.7 16.1 1.0
CG F:HIS57 4.7 10.7 1.0
O G:SER214 4.7 5.8 1.0
SG F:CYS42 4.9 2.2 1.0
ND1 F:HIS57 5.0 11.1 1.0

Fluorine binding site 2 out of 3 in 6gch

Go back to Fluorine Binding Sites List in 6gch
Fluorine binding site 2 out of 3 in the Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F246

b:19.2
occ:1.00
F12 G:APF246 0.0 19.2 1.0
C1 G:APF246 1.2 17.4 1.0
F13 G:APF246 1.9 17.6 1.0
F11 G:APF246 2.0 18.3 1.0
C2 G:APF246 2.3 14.3 1.0
O2 G:APF246 2.8 13.7 1.0
O F:HOH369 3.0 16.1 1.0
O F:HOH433 3.0 12.9 1.0
OG G:SER195 3.2 4.9 1.0
CB G:SER195 3.2 5.3 1.0
C3 G:APF246 3.5 13.3 1.0
O F:PHE41 3.6 5.3 1.0
SG F:CYS42 3.6 2.2 1.0
N G:GLY193 3.9 5.2 1.0
NE2 F:HIS57 4.0 11.8 1.0
O G:HOH366 4.0 28.2 1.0
N3 G:APF246 4.1 12.4 1.0
CA G:SER195 4.4 5.4 1.0
CA G:GLY193 4.4 5.3 1.0
N G:SER195 4.5 5.4 1.0
CD2 F:HIS57 4.7 11.2 1.0
C4 G:APF246 4.7 13.3 1.0
SG F:CYS58 4.8 5.3 1.0
C F:PHE41 4.9 5.6 1.0
CN1 G:APF246 4.9 11.8 1.0
C G:MET192 4.9 4.9 1.0
C G:GLY193 5.0 5.2 1.0
CA G:MET192 5.0 5.3 1.0

Fluorine binding site 3 out of 3 in 6gch

Go back to Fluorine Binding Sites List in 6gch
Fluorine binding site 3 out of 3 in the Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Chymotrypsin-*Trifluoromethyl Ketone Inhibitor Complexes. Comparison of Slowly and Rapidly Equilibrating Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F246

b:17.6
occ:1.00
F13 G:APF246 0.0 17.6 1.0
C1 G:APF246 1.3 17.4 1.0
F12 G:APF246 1.9 19.2 1.0
F11 G:APF246 2.2 18.3 1.0
C2 G:APF246 2.3 14.3 1.0
C3 G:APF246 2.6 13.3 1.0
O G:HOH366 2.7 28.2 1.0
O2 G:APF246 2.7 13.7 1.0
N3 G:APF246 3.2 12.4 1.0
O F:HOH369 3.3 16.1 1.0
N G:GLY193 3.5 5.2 1.0
CA G:MET192 3.6 5.3 1.0
OG G:SER195 3.7 4.9 1.0
CN1 G:APF246 3.7 11.8 1.0
ON1 G:APF246 3.9 12.2 1.0
CB G:MET192 4.0 5.0 1.0
CG G:MET192 4.0 4.6 1.0
C4 G:APF246 4.0 13.3 1.0
C G:MET192 4.1 4.9 1.0
O F:HOH433 4.3 12.9 1.0
CB G:SER195 4.4 5.3 1.0
CA G:GLY193 4.6 5.3 1.0
N G:MET192 4.8 5.1 1.0
CN2 G:APF246 4.9 11.8 1.0
NE2 F:HIS57 4.9 11.8 1.0
CP6 G:APF246 5.0 13.2 1.0

Reference:

K.Brady, A.Z.Wei, D.Ringe, R.H.Abeles. Structure of Chymotrypsin-Trifluoromethyl Ketone Inhibitor Complexes: Comparison of Slowly and Rapidly Equilibrating Inhibitors. Biochemistry V. 29 7600 1990.
ISSN: ISSN 0006-2960
PubMed: 2271520
DOI: 10.1021/BI00485A009
Page generated: Tue Jul 15 11:50:04 2025

Last articles

Mn in 8F4G
Mn in 8F4E
Mn in 8F4D
Mn in 8F4F
Mn in 8F4C
Mn in 8EZ5
Mn in 8ECY
Mn in 8EQM
Mn in 8EIP
Mn in 8EPZ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy