Fluorine in PDB 6tug: Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp

The structure of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp, PDB code: 6tug was solved by C.Garcia-Doval, M.Jinek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.51 / 2.42
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	93.604, 106.686, 116.793, 90.03, 90.01, 90.10
R / Rfree (%)	26.4 / 29.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp (pdb code 6tug). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp, PDB code: 6tug:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:36.1 occ:1.00 F A:AF2501 0.0 36.1 1.0 C2' A:AF2501 1.4 34.7 1.0 H2' A:AF2501 2.0 41.7 1.0 C3' A:AF2501 2.2 40.7 1.0 H1' A:AF2501 2.3 41.2 1.0 HB A:THR139 2.3 39.5 1.0 C1' A:AF2501 2.4 34.2 1.0 O3' A:AF2501 2.5 44.5 1.0 H3' A:AF2501 2.6 48.9 1.0 H5' B:AF2501 2.7 43.6 1.0 H3' B:AF2501 2.8 42.2 1.0 H2' B:AF2501 3.1 39.6 1.0 CB A:THR139 3.2 33.2 1.0 HG22 A:THR139 3.3 40.3 1.0 N9 A:AF2501 3.4 31.1 1.0 C4' A:AF2501 3.5 39.4 1.0 O4' A:AF2501 3.5 35.0 1.0 H A:THR139 3.5 41.8 1.0 N3 A:AF2501 3.5 34.1 1.0 C3' B:AF2501 3.6 35.1 1.0 C5' B:AF2501 3.6 36.3 1.0 CG2 A:THR139 3.6 33.9 1.0 HG21 A:THR139 3.6 40.3 1.0 C4 A:AF2501 3.6 30.5 1.0 C2' B:AF2501 3.7 33.0 1.0 H5' A:AF2501 3.9 55.0 1.0 P B:AF2501 3.9 43.2 1.0 O5' B:AF2501 4.0 41.9 1.0 N A:THR139 4.0 34.8 1.0 CA A:THR139 4.1 34.7 1.0 HG1 A:THR139 4.1 46.6 1.0 C4' B:AF2501 4.2 33.8 1.0 OG1 A:THR139 4.2 38.7 1.0 H4' A:AF2501 4.2 47.3 1.0 HA A:THR139 4.2 41.7 1.0 H5'A B:AF2501 4.2 43.6 1.0 C5' A:AF2501 4.3 45.8 1.0 F B:AF2501 4.3 32.4 1.0 OP1 B:AF2502 4.4 30.9 1.0 C8 A:AF2501 4.5 30.3 1.0 HG23 A:THR139 4.5 40.3 1.0 C2 A:AF2501 4.7 35.7 1.0 H5'A A:AF2501 4.7 55.0 1.0 HA A:SER138 4.8 41.1 1.0 OP1 B:AF2501 4.8 48.7 1.0 O3' B:AF2501 4.8 36.2 1.0 C5 A:AF2501 4.9 31.4 1.0 H8 A:AF2501 4.9 36.5 1.0 H4' B:AF2501 4.9 40.6 1.0 HG21 A:THR111 4.9 40.0 1.0 OP2 B:AF2501 4.9 38.7 1.0 C A:SER138 4.9 35.1 1.0 HG23 A:THR111 4.9 40.0 1.0 H2 A:AF2501 5.0 42.9 1.0 HG22 A:THR111 5.0 40.0 1.0

Fluorine binding site 2 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:40.1 occ:1.00 F A:AF2502 0.0 40.1 1.0 C2' A:AF2502 1.4 35.8 1.0 H2' A:AF2502 1.9 43.0 1.0 C3' A:AF2502 2.2 36.3 1.0 C1' A:AF2502 2.5 34.8 1.0 H1' A:AF2502 2.5 41.9 1.0 O3' A:AF2502 2.5 36.5 1.0 H3' A:AF2502 2.6 43.6 1.0 HG21 B:THR139 3.0 47.7 1.0 N9 A:AF2502 3.2 33.8 1.0 OP2 A:AF2503 3.5 38.1 1.0 C4' A:AF2502 3.5 39.0 1.0 O4' A:AF2502 3.5 36.3 1.0 P A:AF2503 3.6 37.1 1.0 C4 A:AF2502 3.7 32.9 1.0 CG2 B:THR139 3.9 39.7 1.0 HG22 B:THR139 3.9 47.7 1.0 H8 A:AF2503 3.9 37.7 1.0 C8 A:AF2502 4.0 33.7 1.0 N3 A:AF2502 4.0 34.4 1.0 F B:AF2503 4.1 41.6 1.0 H4' A:AF2502 4.1 46.9 1.0 HB B:THR139 4.1 51.0 1.0 H5' A:AF2502 4.2 51.5 1.0 OP1 A:AF2503 4.3 36.3 1.0 H8 A:AF2502 4.3 40.6 1.0 HG1 B:THR139 4.5 58.7 1.0 C5' A:AF2502 4.5 42.8 1.0 CB B:THR139 4.5 42.4 1.0 HG23 B:THR139 4.6 47.7 1.0 C8 A:AF2503 4.6 31.4 1.0 C5 A:AF2502 4.8 33.2 1.0 N7 A:AF2502 4.9 33.8 1.0 O5' A:AF2503 4.9 41.7 1.0 OG1 B:THR139 5.0 48.9 1.0 N7 A:AF2503 5.0 31.0 1.0

Fluorine binding site 3 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ A:F503 b:34.4 occ:1.00 F A:AF2503 0.0 34.4 1.0 C2' A:AF2503 1.4 36.2 1.0 H2' A:AF2503 2.0 43.5 1.0 H A:ASN10 2.0 45.6 1.0 C3' A:AF2503 2.2 41.3 1.0 C1' A:AF2503 2.5 36.2 1.0 O3' A:AF2503 2.5 43.4 1.0 HB2 A:ASN10 2.5 55.7 1.0 H1' A:AF2503 2.5 43.5 1.0 H3' A:AF2503 2.6 49.6 1.0 OP2 A:AF2501 2.9 48.6 1.0 N A:ASN10 2.9 38.0 1.0 P A:AF2501 3.1 47.3 1.0 HD22 A:ASN10 3.2 64.3 1.0 CB A:ASN10 3.2 46.4 1.0 N9 A:AF2503 3.2 31.6 1.0 CG A:ASN10 3.3 49.7 1.0 ND2 A:ASN10 3.3 53.6 1.0 O4' A:AF2503 3.5 42.4 1.0 C4' A:AF2503 3.5 40.8 1.0 HA3 A:GLY9 3.6 43.0 1.0 OP1 A:AF2501 3.6 51.4 1.0 CA A:ASN10 3.6 43.9 1.0 C4 A:AF2503 3.7 33.4 1.0 HA2 A:GLY9 3.8 43.0 1.0 HD21 A:ASN10 3.8 64.3 1.0 C A:GLY9 3.9 36.5 1.0 N3 A:AF2503 4.0 38.3 1.0 CA A:GLY9 4.0 35.8 1.0 OD1 A:ASN10 4.0 49.1 1.0 HB3 A:ASN10 4.0 55.7 1.0 C8 A:AF2503 4.1 31.4 1.0 H A:THR11 4.1 51.9 1.0 H4' A:AF2503 4.1 49.0 1.0 HD11 A:ILE42 4.2 36.5 1.0 O5' A:AF2503 4.3 41.7 1.0 HA A:ASN10 4.3 52.8 1.0 H8 A:AF2503 4.3 37.7 1.0 C5' A:AF2503 4.4 40.5 1.0 O5' A:AF2501 4.6 49.5 1.0 HD12 A:ILE42 4.6 36.5 1.0 C A:ASN10 4.7 45.4 1.0 N A:THR11 4.7 43.2 1.0 O A:GLY113 4.7 50.3 1.0 C5 A:AF2503 4.8 32.3 1.0 H5'A A:AF2503 4.8 48.7 1.0 CD1 A:ILE42 4.9 30.4 1.0 N7 A:AF2503 4.9 31.0 1.0 HG23 A:THR11 4.9 57.6 1.0 HA2 A:GLY113 5.0 58.0 1.0

Fluorine binding site 4 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:32.4 occ:1.00 F B:AF2501 0.0 32.4 1.0 C2' B:AF2501 1.4 33.0 1.0 H2' B:AF2501 1.9 39.6 1.0 C3' B:AF2501 2.2 35.1 1.0 C1' B:AF2501 2.5 32.4 1.0 O3' B:AF2501 2.5 36.2 1.0 H1' B:AF2501 2.6 39.0 1.0 H3' B:AF2501 2.6 42.2 1.0 HG21 A:THR139 2.9 40.3 1.0 N9 B:AF2501 3.2 28.7 1.0 OP2 B:AF2502 3.5 40.2 1.0 C4' B:AF2501 3.5 33.8 1.0 O4' B:AF2501 3.5 32.3 1.0 P B:AF2502 3.6 36.6 1.0 CG2 A:THR139 3.8 33.9 1.0 C4 B:AF2501 3.8 29.7 1.0 HG22 A:THR139 3.8 40.3 1.0 H8 B:AF2502 3.8 42.6 1.0 C8 B:AF2501 4.0 30.9 1.0 N3 B:AF2501 4.1 33.8 1.0 H4' B:AF2501 4.1 40.6 1.0 H5' B:AF2501 4.2 43.6 1.0 H8 B:AF2501 4.2 37.1 1.0 OP1 B:AF2502 4.2 30.9 1.0 HG23 A:THR139 4.3 40.3 1.0 F A:AF2501 4.3 36.1 1.0 C5' B:AF2501 4.4 36.3 1.0 HG1 A:THR139 4.5 46.6 1.0 HB A:THR139 4.6 39.5 1.0 C8 B:AF2502 4.6 35.4 1.0 CB A:THR139 4.7 33.2 1.0 C5 B:AF2501 4.8 30.5 1.0 N7 B:AF2501 4.9 28.5 1.0 O5' B:AF2502 4.9 34.8 1.0

Fluorine binding site 5 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:40.5 occ:1.00 F B:AF2502 0.0 40.5 1.0 C2' B:AF2502 1.4 43.8 1.0 H2' B:AF2502 1.9 52.6 1.0 C3' B:AF2502 2.2 42.5 1.0 H B:ASN10 2.4 47.5 1.0 C1' B:AF2502 2.5 43.4 1.0 O3' B:AF2502 2.5 43.2 1.0 H1' B:AF2502 2.6 52.1 1.0 H3' B:AF2502 2.6 51.0 1.0 HB2 B:ASN10 2.6 39.8 1.0 HD22 B:ASN10 2.8 44.1 1.0 OP1 B:AF2503 3.0 41.7 1.0 P B:AF2503 3.1 42.5 1.0 N9 B:AF2502 3.2 37.0 1.0 N B:ASN10 3.2 39.5 1.0 ND2 B:ASN10 3.3 36.7 1.0 CB B:ASN10 3.4 33.1 1.0 O4' B:AF2502 3.5 46.8 1.0 C4' B:AF2502 3.5 42.7 1.0 OP2 B:AF2503 3.6 51.9 1.0 CG B:ASN10 3.7 33.2 1.0 C4 B:AF2502 3.9 35.2 1.0 HD21 B:ASN10 3.9 44.1 1.0 CA B:ASN10 3.9 30.8 1.0 C8 B:AF2502 4.0 35.4 1.0 HA3 B:GLY9 4.0 45.3 1.0 H B:THR11 4.0 54.4 1.0 H8 B:AF2502 4.2 42.6 1.0 O5' B:AF2502 4.2 34.8 1.0 H4' B:AF2502 4.2 51.3 1.0 N3 B:AF2502 4.2 33.1 1.0 HA2 B:GLY9 4.2 45.3 1.0 HB3 B:ASN10 4.2 39.8 1.0 C B:GLY9 4.3 37.9 1.0 CA B:GLY9 4.4 37.7 1.0 C5' B:AF2502 4.4 38.7 1.0 HD11 B:ILE42 4.6 46.9 1.0 HA B:ASN10 4.7 36.5 1.0 N B:THR11 4.7 45.2 1.0 O5' B:AF2503 4.7 38.5 1.0 OD1 B:ASN10 4.7 39.3 1.0 C B:ASN10 4.8 38.9 1.0 HG1 B:THR11 4.8 52.2 1.0 HA2 B:GLY113 4.8 43.3 1.0 C5 B:AF2502 4.8 35.5 1.0 N7 B:AF2502 4.9 35.3 1.0 H5'A B:AF2502 4.9 46.5 1.0 H B:GLY113 5.0 44.1 1.0

Fluorine binding site 6 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ B:F503 b:41.6 occ:1.00 F B:AF2503 0.0 41.6 1.0 C2' B:AF2503 1.4 37.6 1.0 H2' B:AF2503 2.0 45.2 1.0 C3' B:AF2503 2.2 36.0 1.0 H1' B:AF2503 2.3 48.4 1.0 C1' B:AF2503 2.4 40.3 1.0 HB B:THR139 2.5 51.0 1.0 H3' B:AF2503 2.5 43.3 1.0 O3' B:AF2503 2.6 38.9 1.0 H3' A:AF2502 2.6 43.6 1.0 H5' A:AF2502 2.8 51.5 1.0 H2' A:AF2502 2.9 43.0 1.0 N9 B:AF2503 3.3 31.3 1.0 C3' A:AF2502 3.4 36.3 1.0 CB B:THR139 3.5 42.4 1.0 C4' B:AF2503 3.5 37.5 1.0 C2' A:AF2502 3.5 35.8 1.0 O4' B:AF2503 3.5 39.4 1.0 N3 B:AF2503 3.6 39.1 1.0 C5' A:AF2502 3.6 42.8 1.0 C4 B:AF2503 3.7 42.5 1.0 H B:THR139 3.7 48.9 1.0 O5' A:AF2502 3.9 43.5 1.0 P A:AF2502 3.9 40.9 1.0 H5' B:AF2503 4.0 46.7 1.0 F A:AF2502 4.1 40.1 1.0 N B:THR139 4.1 40.7 1.0 C4' A:AF2502 4.1 39.0 1.0 HG21 B:THR139 4.1 47.7 1.0 HG22 B:THR139 4.2 47.7 1.0 OG1 B:THR139 4.2 48.9 1.0 CG2 B:THR139 4.2 39.7 1.0 H4' B:AF2503 4.2 45.0 1.0 CA B:THR139 4.2 43.4 1.0 HG1 B:THR139 4.2 58.7 1.0 HA B:THR139 4.2 52.1 1.0 OP1 A:AF2503 4.3 36.3 1.0 C5' B:AF2503 4.3 38.9 1.0 H5'A A:AF2502 4.4 51.5 1.0 C8 B:AF2503 4.5 42.0 1.0 O3' A:AF2502 4.7 36.5 1.0 C2 B:AF2503 4.8 42.0 1.0 H5'A B:AF2503 4.8 46.7 1.0 OP1 A:AF2502 4.8 45.6 1.0 H4' A:AF2502 4.9 46.9 1.0 H8 B:AF2503 4.9 50.5 1.0 C5 B:AF2503 4.9 46.4 1.0 OP2 A:AF2502 4.9 41.3 1.0 O4' A:AF2502 4.9 36.3 1.0 C1' A:AF2502 4.9 34.8 1.0 HA B:SER138 4.9 43.9 1.0 HG23 B:THR111 5.0 46.6 1.0 C B:SER138 5.0 37.0 1.0

Fluorine binding site 7 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ C:F501 b:40.9 occ:1.00 F C:AF2501 0.0 40.9 1.0 C2' C:AF2501 1.4 38.5 1.0 H2' C:AF2501 2.0 46.2 1.0 C3' C:AF2501 2.2 38.3 1.0 H1' C:AF2501 2.3 46.4 1.0 HB C:THR139 2.4 37.5 1.0 C1' C:AF2501 2.4 38.6 1.0 H3' C:AF2501 2.6 46.1 1.0 O3' C:AF2501 2.6 41.7 1.0 H3' D:AF2501 2.7 44.2 1.0 H5' D:AF2501 2.7 46.9 1.0 H2' D:AF2501 3.1 49.9 1.0 CB C:THR139 3.4 31.2 1.0 N9 C:AF2501 3.4 33.7 1.0 N3 C:AF2501 3.5 37.2 1.0 C4' C:AF2501 3.5 42.3 1.0 C3' D:AF2501 3.5 36.8 1.0 O4' C:AF2501 3.5 41.4 1.0 C5' D:AF2501 3.6 39.0 1.0 C4 C:AF2501 3.6 33.6 1.0 H C:THR139 3.6 40.1 1.0 C2' D:AF2501 3.7 41.5 1.0 HG21 C:THR139 3.8 35.8 1.0 H5' C:AF2501 3.9 54.0 1.0 HG22 C:THR139 3.9 35.8 1.0 CG2 C:THR139 3.9 29.7 1.0 P D:AF2501 3.9 45.5 1.0 O5' D:AF2501 4.0 40.7 1.0 HG1 C:THR139 4.1 43.8 1.0 N C:THR139 4.1 33.4 1.0 C4' D:AF2501 4.2 35.8 1.0 OG1 C:THR139 4.2 36.4 1.0 CA C:THR139 4.2 34.1 1.0 H4' C:AF2501 4.2 50.8 1.0 F D:AF2501 4.2 49.1 1.0 C5' C:AF2501 4.3 44.9 1.0 HA C:THR139 4.3 41.0 1.0 H5'A D:AF2501 4.3 46.9 1.0 OP1 D:AF2502 4.4 36.4 1.0 C8 C:AF2501 4.6 32.9 1.0 C2 C:AF2501 4.6 39.8 1.0 O3' D:AF2501 4.8 36.3 1.0 OP1 D:AF2501 4.8 51.5 1.0 H2 C:AF2501 4.9 47.9 1.0 H4' D:AF2501 4.9 43.0 1.0 H5'A C:AF2501 4.9 54.0 1.0 C5 C:AF2501 4.9 34.4 1.0 HG23 C:THR139 4.9 35.8 1.0 HG23 C:THR111 5.0 37.9 1.0 OP2 D:AF2501 5.0 48.0 1.0 H8 C:AF2501 5.0 39.5 1.0 HG21 C:THR111 5.0 37.9 1.0

Fluorine binding site 8 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ C:F502 b:40.4 occ:1.00 F C:AF2502 0.0 40.4 1.0 C2' C:AF2502 1.4 40.7 1.0 H2' C:AF2502 1.9 48.9 1.0 C3' C:AF2502 2.2 41.0 1.0 C1' C:AF2502 2.5 39.6 1.0 O3' C:AF2502 2.5 43.0 1.0 H1' C:AF2502 2.6 47.6 1.0 H3' C:AF2502 2.6 49.2 1.0 HG21 D:THR139 3.1 45.2 1.0 N9 C:AF2502 3.1 35.7 1.0 C4' C:AF2502 3.5 42.0 1.0 O4' C:AF2502 3.5 41.0 1.0 P C:AF2503 3.6 41.5 1.0 OP2 C:AF2503 3.7 41.6 1.0 C4 C:AF2502 3.7 35.9 1.0 H8 C:AF2503 3.9 50.6 1.0 C8 C:AF2502 4.0 35.2 1.0 CG2 D:THR139 4.0 37.6 1.0 N3 C:AF2502 4.0 38.4 1.0 H4' C:AF2502 4.1 50.5 1.0 HB D:THR139 4.2 46.3 1.0 H8 C:AF2502 4.2 42.3 1.0 H5' C:AF2502 4.2 55.6 1.0 HG22 D:THR139 4.3 45.2 1.0 OP1 C:AF2503 4.3 40.4 1.0 F D:AF2503 4.4 47.4 1.0 HG1 D:THR139 4.4 51.5 1.0 C5' C:AF2502 4.5 46.3 1.0 CB D:THR139 4.6 38.5 1.0 HG23 D:THR139 4.6 45.2 1.0 C8 C:AF2503 4.6 42.1 1.0 C5 C:AF2502 4.7 37.8 1.0 N7 C:AF2502 4.8 36.0 1.0 N7 C:AF2503 4.9 42.2 1.0 O5' C:AF2503 5.0 42.8 1.0

Fluorine binding site 9 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ C:F503 b:41.9 occ:1.00 F C:AF2503 0.0 41.9 1.0 C2' C:AF2503 1.4 43.3 1.0 H2' C:AF2503 2.0 52.0 1.0 H C:ASN10 2.2 52.8 1.0 C3' C:AF2503 2.3 44.1 1.0 C1' C:AF2503 2.5 45.7 1.0 O3' C:AF2503 2.6 45.4 1.0 H1' C:AF2503 2.6 54.9 1.0 H3' C:AF2503 2.6 53.0 1.0 HB2 C:ASN10 2.7 61.2 1.0 OP2 C:AF2501 2.8 42.7 1.0 N C:ASN10 3.0 44.0 1.0 P C:AF2501 3.0 45.2 1.0 N9 C:AF2503 3.2 42.6 1.0 HD22 C:ASN10 3.3 64.8 1.0 CB C:ASN10 3.4 50.9 1.0 OP1 C:AF2501 3.4 49.1 1.0 ND2 C:ASN10 3.5 54.0 1.0 CG C:ASN10 3.5 51.3 1.0 O4' C:AF2503 3.5 48.2 1.0 C4' C:AF2503 3.5 44.5 1.0 HA3 C:GLY9 3.6 45.5 1.0 CA C:ASN10 3.8 48.9 1.0 C4 C:AF2503 3.8 42.2 1.0 HA2 C:GLY9 3.8 45.5 1.0 C C:GLY9 3.9 42.1 1.0 HD21 C:ASN10 3.9 64.8 1.0 CA C:GLY9 4.0 37.9 1.0 C8 C:AF2503 4.0 42.1 1.0 N3 C:AF2503 4.1 41.8 1.0 H4' C:AF2503 4.1 53.5 1.0 O5' C:AF2503 4.2 42.8 1.0 H8 C:AF2503 4.2 50.6 1.0 HB3 C:ASN10 4.2 61.2 1.0 H C:THR11 4.3 60.7 1.0 OD1 C:ASN10 4.3 48.3 1.0 HA C:ASN10 4.4 58.7 1.0 C5' C:AF2503 4.4 42.5 1.0 HD11 C:ILE42 4.6 47.4 1.0 O5' C:AF2501 4.6 47.1 1.0 O C:GLY113 4.7 34.0 1.0 HA2 C:GLY113 4.7 36.2 1.0 C5 C:AF2503 4.8 42.5 1.0 C C:ASN10 4.8 51.8 1.0 N C:THR11 4.8 50.5 1.0 H5'A C:AF2503 4.9 51.1 1.0 H C:GLY113 4.9 36.4 1.0 N7 C:AF2503 4.9 42.2 1.0

Fluorine binding site 10 out of 24 in the Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Enterococcus Italicus CSM6 Bound to Cyclic Hexa-2'-Fluoro-Hexa-Damp within 5.0Å range: probe atom residue distance (Å) B Occ D:F501 b:49.1 occ:1.00 F D:AF2501 0.0 49.1 1.0 C2' D:AF2501 1.4 41.5 1.0 H2' D:AF2501 1.9 49.9 1.0 C3' D:AF2501 2.2 36.8 1.0 C1' D:AF2501 2.5 34.8 1.0 O3' D:AF2501 2.5 36.3 1.0 H1' D:AF2501 2.5 41.8 1.0 H3' D:AF2501 2.6 44.2 1.0 HG21 C:THR139 3.0 35.8 1.0 N9 D:AF2501 3.2 30.7 1.0 OP2 D:AF2502 3.3 41.2 1.0 P D:AF2502 3.5 37.6 1.0 C4' D:AF2501 3.5 35.8 1.0 O4' D:AF2501 3.5 35.2 1.0 C4 D:AF2501 3.8 30.0 1.0 H8 D:AF2502 3.9 43.7 1.0 CG2 C:THR139 4.0 29.7 1.0 C8 D:AF2501 4.0 29.2 1.0 N3 D:AF2501 4.1 33.8 1.0 H4' D:AF2501 4.1 43.0 1.0 OP1 D:AF2502 4.1 36.4 1.0 HG22 C:THR139 4.1 35.8 1.0 H5' D:AF2501 4.2 46.9 1.0 H8 D:AF2501 4.2 35.2 1.0 F C:AF2501 4.2 40.9 1.0 HB C:THR139 4.4 37.5 1.0 C5' D:AF2501 4.4 39.0 1.0 HG1 C:THR139 4.5 43.8 1.0 HG23 C:THR139 4.5 35.8 1.0 C8 D:AF2502 4.7 36.4 1.0 CB C:THR139 4.7 31.2 1.0 C5 D:AF2501 4.8 29.7 1.0 N7 D:AF2501 4.9 29.9 1.0 O5' D:AF2502 4.9 40.9 1.0

C.Garcia-Doval, F.Schwede, C.Berk, J.T.Rostol, O.Niewoehner, O.Tejero, J.Hall, L.A.Marraffini, M.Jinek. Activation and Self-Inactivation Mechanisms of the Cyclic Oligoadenylate-Dependent Crispr Ribonuclease CSM6 To Be Published.