Atomistry » Fluorine » PDB 7y4g-7yzq » 7y8m
Atomistry »
  Fluorine »
    PDB 7y4g-7yzq »
      7y8m »

Fluorine in PDB 7y8m: Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole

Protein crystallography data

The structure of Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole, PDB code: 7y8m was solved by L.L.Zhang, W.D.Liu, M.Shi, J.W.Huang, Y.Yang, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.36 / 2.28
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.456, 67.668, 140.764, 90, 104.87, 90
R / Rfree (%) 19.3 / 23.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole (pdb code 7y8m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole, PDB code: 7y8m:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7y8m

Go back to Fluorine Binding Sites List in 7y8m
Fluorine binding site 1 out of 4 in the Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:60.4
occ:1.00
FAB A:Q0R302 0.0 60.4 1.0
CAK A:Q0R302 1.3 48.2 1.0
CAM A:Q0R302 2.3 50.0 1.0
CAJ A:Q0R302 2.4 42.6 1.0
CZ A:PHE215 3.1 36.6 1.0
CE2 A:PHE215 3.3 38.8 1.0
CAL A:Q0R302 3.6 42.0 1.0
O B:THR121 3.6 38.3 1.0
CAH A:Q0R302 3.6 47.5 1.0
NE1 B:TRP177 3.7 30.2 1.0
O A:HOH424 3.8 38.4 1.0
CD1 B:TRP177 4.0 29.9 1.0
CAI A:Q0R302 4.1 49.8 1.0
CD B:PRO123 4.2 28.1 1.0
C B:THR121 4.2 32.9 1.0
CE1 A:PHE215 4.2 32.6 1.0
CA B:CYS122 4.3 29.9 1.0
O A:HOH512 4.3 30.0 1.0
CE2 B:TRP177 4.4 29.3 1.0
N B:PRO123 4.4 36.2 1.0
C B:CYS122 4.5 33.3 1.0
N B:CYS122 4.5 32.0 1.0
CD2 A:PHE215 4.6 34.7 1.0
CAF A:Q0R302 4.7 48.8 1.0
CG B:TRP177 4.9 26.2 1.0
CZ2 B:TRP177 4.9 28.9 1.0

Fluorine binding site 2 out of 4 in 7y8m

Go back to Fluorine Binding Sites List in 7y8m
Fluorine binding site 2 out of 4 in the Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:47.3
occ:1.00
FAB A:Q0R303 0.0 47.3 1.0
CAK A:Q0R303 1.2 45.6 1.0
CAM A:Q0R303 2.3 47.7 1.0
CAJ A:Q0R303 2.3 49.2 1.0
CE1 A:TYR170 3.2 22.6 1.0
CA A:THR121 3.3 28.8 1.0
O A:VAL120 3.4 24.8 1.0
CAL A:Q0R303 3.5 47.3 1.0
CAH A:Q0R303 3.5 46.4 1.0
SD A:MET174 3.5 28.3 1.0
OH A:TYR170 3.5 28.5 1.0
C A:THR121 3.6 30.0 1.0
CZ A:TYR170 3.7 27.4 1.0
O A:THR121 3.9 34.0 1.0
CAI A:Q0R303 4.0 42.5 1.0
C5N A:NDP301 4.1 27.9 1.0
CD1 A:TYR170 4.2 26.7 1.0
CB A:THR121 4.2 32.0 1.0
C A:VAL120 4.2 28.1 1.0
N A:THR121 4.2 26.7 1.0
N A:CYS122 4.2 27.3 1.0
CE A:MET174 4.5 19.3 1.0
CG A:MET174 4.5 24.0 1.0
O A:HOH454 4.6 19.4 1.0
C4N A:NDP301 4.6 23.8 1.0
CAF A:Q0R303 4.6 52.7 1.0
CG2 A:THR121 4.7 26.2 1.0
CE2 A:TYR170 5.0 26.3 1.0
C6N A:NDP301 5.0 25.1 1.0
NAC A:Q0R303 5.0 54.9 1.0

Fluorine binding site 3 out of 4 in 7y8m

Go back to Fluorine Binding Sites List in 7y8m
Fluorine binding site 3 out of 4 in the Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F302

b:20.0
occ:1.00
FAB C:Q0R302 0.0 20.0 1.0
CAK C:Q0R302 1.3 20.0 1.0
CAM C:Q0R302 2.3 20.0 1.0
CAJ C:Q0R302 2.3 20.0 1.0
O C:THR121 3.3 36.5 1.0
CZ D:PHE215 3.5 26.3 1.0
CAL C:Q0R302 3.6 20.0 1.0
O C:HOH471 3.6 42.2 1.0
CAH C:Q0R302 3.6 20.0 1.0
C C:THR121 3.7 37.4 1.0
CE2 D:PHE215 3.9 26.1 1.0
CA C:CYS122 3.9 38.4 1.0
N C:CYS122 4.0 32.1 1.0
C C:CYS122 4.0 38.7 1.0
CAI C:Q0R302 4.0 20.0 1.0
N C:PRO123 4.2 34.7 1.0
CD C:PRO123 4.2 28.9 1.0
NE1 C:TRP177 4.3 31.7 1.0
O C:CYS122 4.5 29.7 1.0
CE1 D:PHE215 4.6 27.5 1.0
CA C:THR121 4.6 38.0 1.0
CD1 C:TRP177 4.6 31.3 1.0
O D:HOH428 4.7 33.1 1.0
CAF C:Q0R302 4.7 20.0 1.0
CE2 C:TRP177 4.8 31.6 1.0

Fluorine binding site 4 out of 4 in 7y8m

Go back to Fluorine Binding Sites List in 7y8m
Fluorine binding site 4 out of 4 in the Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Scired-R2-V3 From Streptomyces Clavuligerus in Complex with 5-(3-Fluorophenyl)-3,4-Dihydro-2H-Pyrrole within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F302

b:20.0
occ:1.00
FAB D:Q0R302 0.0 20.0 1.0
CAK D:Q0R302 1.3 20.0 1.0
CAM D:Q0R302 2.3 20.0 1.0
CAJ D:Q0R302 2.3 20.0 1.0
O C:HOH487 3.0 40.2 1.0
CE1 D:TYR170 3.2 30.3 1.0
SD D:MET174 3.2 39.8 1.0
OH D:TYR170 3.3 35.2 1.0
CAL D:Q0R302 3.6 20.0 1.0
CZ D:TYR170 3.6 35.8 1.0
CAH D:Q0R302 3.6 20.0 1.0
O D:VAL120 3.6 35.6 1.0
CA D:THR121 3.6 35.3 1.0
C D:THR121 3.9 39.9 1.0
C5N D:NDP301 4.0 36.0 1.0
CAI D:Q0R302 4.1 20.0 1.0
CE D:MET174 4.2 39.8 1.0
CD1 D:TYR170 4.2 32.7 1.0
O D:THR121 4.3 36.0 1.0
CG D:MET174 4.3 36.7 1.0
N D:CYS122 4.4 38.5 1.0
C D:VAL120 4.4 37.4 1.0
CB D:THR121 4.5 29.5 1.0
N D:THR121 4.5 30.8 1.0
O C:HOH433 4.6 36.2 1.0
C4N D:NDP301 4.6 39.0 1.0
CAF D:Q0R302 4.7 20.0 1.0
CE2 D:TYR170 4.8 34.1 1.0
CG2 D:THR121 4.8 33.4 1.0
C6N D:NDP301 4.8 43.5 1.0
NAC D:Q0R302 5.0 20.0 1.0

Reference:

Q.Chen, B.B.Li, L.Zhang, X.R.Chen, X.X.Zhu, F.F.Chen, M.Shi, C.C.Chen, Y.Yang, R.T.Guo, W.Liu, J.H.Xu, G.W.Zheng. Engineered Imine Reductase For Larotrectinib Intermediate Manufacture Acs Catalysis V. 12 14795 2022.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.2C03783
Page generated: Wed Jul 16 02:05:20 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy