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Fluorine in PDB 1apw: Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides

Enzymatic activity of Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides

All present enzymatic activity of Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides:
3.4.23.20;

Protein crystallography data

The structure of Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides, PDB code: 1apw was solved by A.R.Sielecki, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 97.640, 46.580, 66.440, 90.00, 116.12, 90.00
R / Rfree (%) n/a / n/a

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides (pdb code 1apw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides, PDB code: 1apw:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 1apw

Go back to Fluorine Binding Sites List in 1apw
Fluorine binding site 1 out of 2 in the Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F1

b:10.9
occ:1.00
F1 I:DFI1 0.0 10.9 1.0
CM I:DFI1 1.3 9.5 1.0
F2 I:DFI1 2.1 7.9 1.0
C I:DFI1 2.3 12.3 1.0
CH I:DFI1 2.4 8.6 1.0
O I:DFI1 2.8 14.2 1.0
OH I:DFI1 2.9 5.7 1.0
CA I:DFI1 2.9 7.9 1.0
N I:DFI1 2.9 8.6 1.0
C I:VAL2 3.3 8.6 1.0
N I:NME1A 3.4 14.9 1.0
OD2 E:ASP213 3.5 7.8 1.0
C1 I:DMF587 3.5 27.2 0.6
N I:DMF587 3.5 25.6 0.6
O I:VAL2 3.6 7.1 1.0
CG1 I:VAL2 3.7 10.0 1.0
OG1 E:THR216 3.9 7.6 1.0
C2 I:DMF587 4.1 28.1 0.6
CA I:VAL2 4.2 8.1 1.0
C I:DMF587 4.4 29.6 0.6
CB I:DFI1 4.4 7.2 1.0
N E:GLY76 4.5 8.6 1.0
CB I:VAL2 4.5 9.2 1.0
CG E:ASP213 4.6 7.1 1.0
CA E:GLY76 4.7 11.5 1.0
C I:NME1A 4.7 15.4 1.0

Fluorine binding site 2 out of 2 in 1apw

Go back to Fluorine Binding Sites List in 1apw
Fluorine binding site 2 out of 2 in the Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F1

b:7.9
occ:1.00
F2 I:DFI1 0.0 7.9 1.0
CM I:DFI1 1.3 9.5 1.0
F1 I:DFI1 2.1 10.9 1.0
C I:DFI1 2.4 12.3 1.0
CH I:DFI1 2.4 8.6 1.0
N I:NME1A 2.6 14.9 1.0
OH I:DFI1 2.6 5.7 1.0
OD2 E:ASP213 3.0 7.8 1.0
O E:GLY35 3.1 3.7 1.0
CA E:GLY35 3.3 2.9 1.0
O I:DFI1 3.5 14.2 1.0
C E:GLY35 3.5 2.9 1.0
C1 I:DMF587 3.6 27.2 0.6
CA I:DFI1 3.8 7.9 1.0
CG E:ASP213 3.8 7.1 1.0
C I:NME1A 4.1 15.4 1.0
OD1 E:ASP213 4.1 4.5 1.0
N I:DMF587 4.3 25.6 0.6
N I:DFI1 4.3 8.6 1.0
OD2 E:ASP33 4.3 4.8 1.0
N E:GLY35 4.5 5.1 1.0
OD1 E:ASP33 4.5 6.9 1.0
N E:SER36 4.6 3.6 1.0
CE1 E:PHE190 4.6 8.3 1.0
CD1 E:ILE211 4.7 5.7 1.0
C2 I:DMF587 4.7 28.1 0.6
OG1 E:THR216 4.9 7.6 1.0
CG E:ASP33 4.9 5.5 1.0
CB I:DFI1 5.0 7.2 1.0

Reference:

M.N.James, A.R.Sielecki, K.Hayakawa, M.H.Gelb. Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine- and Difluorostatone-Containing Peptides. Biochemistry V. 31 3872 1992.
ISSN: ISSN 0006-2960
PubMed: 1567842
DOI: 10.1021/BI00130A019
Page generated: Sun Dec 13 11:28:13 2020

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