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Fluorine in PDB 2g6w: Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine

Enzymatic activity of Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine

All present enzymatic activity of Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine:
2.3.1.47;

Protein crystallography data

The structure of Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine, PDB code: 2g6w was solved by D.Alexeev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.41 / 2.14
Space group P 31 1 2
Cell size a, b, c (Å), α, β, γ (°) 58.670, 58.670, 198.970, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 24.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine (pdb code 2g6w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine, PDB code: 2g6w:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 2g6w

Go back to Fluorine Binding Sites List in 2g6w
Fluorine binding site 1 out of 2 in the Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F436

b:51.7
occ:1.00
 F1 A:LLF436 0.0 51.7 1.0
CBF A:LLF436 1.4 51.7 1.0
CAF A:LLF436 2.3 52.2 1.0
F2 A:LLF436 2.4 53.0 1.0
NZ A:LYS236 2.4 47.3 1.0
ND2 A:ASN47 2.7 36.8 1.0
NF A:LLF436 3.6 52.0 1.0
CE A:LYS236 3.9 41.5 1.0
CG A:ASN47 3.9 34.8 1.0
C4A A:LLF436 4.2 52.9 1.0
CB A:ASN47 4.7 30.3 1.0
OD1 A:ASN47 4.8 35.5 1.0
O A:HOH633 4.9 54.8 1.0
OP3 A:LLF436 4.9 42.6 1.0
CD A:LYS236 4.9 37.8 1.0
CG A:LYS236 4.9 33.0 1.0

Fluorine binding site 2 out of 2 in 2g6w

Go back to Fluorine Binding Sites List in 2g6w
Fluorine binding site 2 out of 2 in the Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Suicide Inhibition of A-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase with Trifluoroalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F436

b:53.0
occ:1.00
 F2 A:LLF436 0.0 53.0 1.0
CBF A:LLF436 1.5 51.7 1.0
F1 A:LLF436 2.4 51.7 1.0
CAF A:LLF436 2.5 52.2 1.0
ND2 A:ASN47 2.5 36.8 1.0
NZ A:LYS236 2.5 47.3 1.0
NF A:LLF436 2.7 52.0 1.0
CE A:LYS236 3.1 41.5 1.0
O A:HOH633 3.1 54.8 1.0
CE1 A:HIS207 3.5 34.9 1.0
O3 A:LLF436 3.6 52.5 1.0
CG A:ASN47 3.7 34.8 1.0
C4A A:LLF436 3.8 52.9 1.0
O A:HOH534 3.9 48.8 1.0
NE2 A:HIS207 3.9 30.7 1.0
OD1 A:ASN47 4.3 35.5 1.0
CD A:LYS236 4.4 37.8 1.0
CG A:LYS236 4.6 33.0 1.0
C3 A:LLF436 4.7 53.1 1.0
C4 A:LLF436 4.7 53.2 1.0
ND1 A:HIS207 4.8 33.7 1.0
CB A:ASN47 4.8 30.3 1.0
NH2 A:ARG361 4.9 48.0 1.0
OG A:SER179 5.0 44.5 1.0

Reference:

D.Alexeev, R.L.Baxter, D.J.Campopiano, O.Kerbarh, L.Sawyer, N.Tomczyk, R.Watt, S.P.Webster. Suicide Inhibition of Alpha-Oxamine Synthases: Structures of the Covalent Adducts of 8-Amino-7-Oxononanoate Synthase with Trifluoroalanine. Org.Biomol.Chem. V. 4 1209 2006.
ISSN: ISSN 1477-0520
PubMed: 16557306
DOI: 10.1039/B517922J
Page generated: Wed Jul 31 14:30:21 2024

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