Fluorine in PDB 4uaa: Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution

The structure of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution, PDB code: 4uaa was solved by D.A.Nichols, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 0.86
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.968, 106.692, 47.664, 90.00, 102.08, 90.00
R / Rfree (%)	12.1 / 13.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution (pdb code 4uaa). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution, PDB code: 4uaa:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:13.1 occ:1.00 F27 A:3GK301 0.0 13.1 1.0 C24 A:3GK301 1.4 10.0 1.0 F26 A:3GK301 2.1 10.3 1.0 F25 A:3GK301 2.1 16.3 1.0 C19 A:3GK301 2.4 8.8 1.0 HG22 A:THR171 2.9 12.4 1.0 HA A:THR168 3.0 8.7 1.0 HG23 A:THR171 3.0 12.4 1.0 HA A:THR171 3.1 8.4 1.0 C20 A:3GK301 3.1 8.1 1.0 C18 A:3GK301 3.2 8.9 1.0 O A:PRO167 3.2 7.3 1.0 HB2 A:ASN170 3.2 8.7 1.0 N A:THR171 3.4 6.8 1.0 CG2 A:THR171 3.4 8.3 1.0 C A:ASN170 3.5 6.8 1.0 H A:THR171 3.6 8.2 1.0 CA A:THR171 3.7 7.0 1.0 H A:ASN170 3.7 8.0 1.0 O A:ASN170 3.9 7.2 1.0 CA A:THR168 3.9 7.2 1.0 CB A:ASN170 4.0 7.2 1.0 C A:PRO167 4.1 6.8 1.0 O A:THR168 4.1 7.5 1.0 CA A:ASN170 4.1 6.7 1.0 CB A:THR171 4.2 7.3 1.0 N A:ASN170 4.2 6.6 1.0 HB2 A:PRO167 4.2 9.9 1.0 HG21 A:THR171 4.2 12.4 1.0 C A:THR168 4.2 6.9 1.0 C17 A:3GK301 4.4 8.2 1.0 HD22 A:ASN170 4.4 9.9 1.0 C15 A:3GK301 4.4 7.6 1.0 N A:THR168 4.4 6.8 1.0 HB3 A:ASN170 4.5 8.7 1.0 HG23 A:THR168 4.6 13.0 1.0 HG2 A:PRO167 4.8 10.4 1.0 HB A:THR171 4.8 8.8 1.0 C16 A:3GK301 4.9 7.6 1.0 O A:HOH468 4.9 14.8 1.0 HB A:THR168 4.9 9.2 1.0 CB A:THR168 5.0 7.7 1.0 CB A:PRO167 5.0 8.2 1.0

Fluorine binding site 2 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:16.3 occ:1.00 F25 A:3GK301 0.0 16.3 1.0 C24 A:3GK301 1.3 10.0 1.0 F26 A:3GK301 2.1 10.3 1.0 F27 A:3GK301 2.1 13.1 1.0 C19 A:3GK301 2.3 8.8 1.0 C18 A:3GK301 2.7 8.9 1.0 O A:HOH468 3.1 14.8 1.0 HG23 A:THR171 3.6 12.4 1.0 C20 A:3GK301 3.6 8.1 1.0 O A:HOH539 3.6 17.5 1.0 C17 A:3GK301 4.1 8.2 1.0 HA A:THR171 4.2 8.4 1.0 OD2 A:ASP240 4.2 10.6 1.0 HG22 A:THR171 4.3 12.4 1.0 CG2 A:THR171 4.4 8.3 1.0 HA A:THR168 4.5 8.7 1.0 CG A:ASP240 4.8 8.5 1.0 HB2 A:PRO167 4.8 9.9 1.0 C15 A:3GK301 4.8 7.6 1.0 O A:HOH501 4.8 14.1 1.0 O A:PRO167 4.9 7.3 1.0 HB2 A:ASN170 4.9 8.7 1.0 N5 A:3GK302 4.9 10.3 0.8 C16 A:3GK301 5.0 7.6 1.0 OD1 A:ASP240 5.0 9.2 1.0 HG21 A:THR171 5.0 12.4 1.0 CA A:THR171 5.0 7.0 1.0

Fluorine binding site 3 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:10.3 occ:1.00 F26 A:3GK301 0.0 10.3 1.0 C24 A:3GK301 1.3 10.0 1.0 F27 A:3GK301 2.1 13.1 1.0 F25 A:3GK301 2.1 16.3 1.0 C19 A:3GK301 2.3 8.8 1.0 HB2 A:PRO167 2.7 9.9 1.0 C20 A:3GK301 2.8 8.1 1.0 O A:PRO167 3.2 7.3 1.0 HG2 A:PRO167 3.2 10.4 1.0 HA A:THR168 3.4 8.7 1.0 CB A:PRO167 3.5 8.2 1.0 C18 A:3GK301 3.6 8.9 1.0 C A:PRO167 3.6 6.8 1.0 CG A:PRO167 3.7 8.7 1.0 HG3 A:PRO167 4.1 10.4 1.0 O A:HOH501 4.1 14.1 1.0 HB2 A:ASN170 4.2 8.7 1.0 C15 A:3GK301 4.2 7.6 1.0 N A:THR168 4.2 6.8 1.0 CA A:PRO167 4.2 7.4 1.0 CA A:THR168 4.2 7.2 1.0 HB3 A:PRO167 4.2 9.9 1.0 HG23 A:THR168 4.3 13.0 1.0 HD21 A:ASN104 4.3 10.7 1.0 HD22 A:ASN104 4.4 10.7 1.0 HD22 A:ASN170 4.5 9.9 1.0 HG22 A:THR171 4.6 12.4 1.0 ND2 A:ASN104 4.6 8.9 1.0 HG23 A:THR171 4.6 12.4 1.0 C17 A:3GK301 4.7 8.2 1.0 H A:ASN170 4.8 8.0 1.0 H A:THR168 4.8 8.2 1.0 HA A:PRO167 4.8 8.9 1.0 O14 A:3GK301 4.8 8.2 1.0 HG22 A:THR168 4.9 13.0 1.0 C16 A:3GK301 4.9 7.6 1.0 CG2 A:THR168 5.0 8.6 1.0 O A:HOH539 5.0 17.5 1.0

Fluorine binding site 4 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:15.6 occ:0.79 F27 A:3GK302 0.0 15.6 0.8 C24 A:3GK302 1.4 12.0 0.8 F26 A:3GK302 2.0 13.5 0.8 F25 A:3GK302 2.1 15.8 0.8 C19 A:3GK302 2.3 10.7 0.8 C18 A:3GK302 2.8 11.0 0.8 HB3 A:SER237 2.9 8.1 1.0 O A:HOH605 3.2 8.7 1.0 HD3 A:ARG276 3.2 9.4 1.0 HB2 A:SER274 3.4 15.5 1.0 C20 A:3GK302 3.4 9.8 0.8 OG A:SER237 3.5 7.0 1.0 CB A:SER237 3.5 6.8 1.0 HB2 A:SER237 3.6 8.1 1.0 HB3 A:SER274 3.7 15.5 1.0 HG22 A:THR244 3.7 11.3 1.0 HG3 A:ARG276 3.8 9.1 1.0 CB A:SER274 3.8 12.9 1.0 OG A:SER274 3.9 14.6 1.0 CD A:ARG276 4.0 7.9 1.0 C17 A:3GK302 4.1 11.2 0.8 NE A:ARG276 4.2 9.1 1.0 N1 A:3GK301 4.3 6.6 1.0 N2 A:3GK301 4.3 6.5 1.0 CG A:ARG276 4.3 7.6 1.0 HE A:ARG276 4.4 10.9 1.0 HG2 A:ARG276 4.4 9.1 1.0 CZ A:ARG276 4.5 10.3 1.0 HH12 A:ARG276 4.5 12.8 1.0 C15 A:3GK302 4.6 9.7 0.8 CG2 A:THR244 4.6 7.5 1.0 O A:HOH499 4.6 10.9 1.0 NH1 A:ARG276 4.7 10.6 1.0 HD2 A:ARG276 4.8 9.4 1.0 C16 A:3GK302 4.8 10.7 0.8 O A:HOH741 4.9 20.0 1.0 O A:HOH424 4.9 10.1 1.0 HG21 A:THR244 4.9 11.3 1.0 CA A:SER237 4.9 6.3 1.0 HA A:THR244 4.9 7.2 1.0 O A:HOH564 4.9 11.7 1.0

Fluorine binding site 5 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:15.8 occ:0.79 F25 A:3GK302 0.0 15.8 0.8 C24 A:3GK302 1.3 12.0 0.8 F27 A:3GK302 2.1 15.6 0.8 F26 A:3GK302 2.2 13.5 0.8 C19 A:3GK302 2.3 10.7 0.8 C18 A:3GK302 2.9 11.0 0.8 OG A:SER274 3.4 14.6 1.0 C20 A:3GK302 3.4 9.8 0.8 CZ A:ARG276 3.4 10.3 1.0 NE A:ARG276 3.6 9.1 1.0 NH2 A:ARG276 3.7 14.6 1.0 HD3 A:ARG276 3.7 9.4 1.0 HE A:ARG276 3.7 10.9 1.0 HH22 A:ARG276 3.8 17.6 1.0 NH1 A:ARG276 3.8 10.6 1.0 HH21 A:ARG276 4.0 17.6 1.0 HB3 A:SER274 4.0 15.5 1.0 HB2 A:SER274 4.0 15.5 1.0 CB A:SER274 4.1 12.9 1.0 HH12 A:ARG276 4.1 12.8 1.0 C17 A:3GK302 4.1 11.2 0.8 CD A:ARG276 4.1 7.9 1.0 HH11 A:ARG276 4.2 12.8 1.0 O A:HOH564 4.3 11.7 1.0 HG3 A:ARG276 4.3 9.1 1.0 O A:HOH659 4.4 21.4 1.0 C15 A:3GK302 4.6 9.7 0.8 O A:HOH605 4.7 8.7 1.0 CG A:ARG276 4.8 7.6 1.0 C16 A:3GK302 4.9 10.7 0.8 O A:HOH727 4.9 23.2 1.0 HB3 A:SER237 4.9 8.1 1.0 O A:HOH499 4.9 10.9 1.0 HD2 A:ARG276 5.0 9.4 1.0

Fluorine binding site 6 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:13.5 occ:0.79 F26 A:3GK302 0.0 13.5 0.8 C24 A:3GK302 1.3 12.0 0.8 F27 A:3GK302 2.0 15.6 0.8 F25 A:3GK302 2.2 15.8 0.8 C19 A:3GK302 2.3 10.7 0.8 C20 A:3GK302 2.8 9.8 0.8 HB3 A:SER274 2.9 15.5 1.0 O A:HOH741 3.1 20.0 1.0 O A:HOH727 3.2 23.2 1.0 OG A:SER237 3.4 7.0 1.0 CB A:SER274 3.4 12.9 1.0 OG A:SER274 3.5 14.6 1.0 HB2 A:SER274 3.5 15.5 1.0 O A:HOH424 3.5 10.1 1.0 HB2 A:SER237 3.5 8.1 1.0 C18 A:3GK302 3.6 11.0 0.8 HB3 A:SER237 3.7 8.1 1.0 CB A:SER237 3.8 6.8 1.0 C15 A:3GK302 4.1 9.7 0.8 O A:HOH535 4.4 9.7 1.0 O A:HOH711 4.6 16.9 0.5 C17 A:3GK302 4.7 11.2 0.8 CA A:SER274 4.9 10.4 1.0 H A:SER274 4.9 12.0 1.0 C16 A:3GK302 4.9 10.7 0.8 O A:HOH641 4.9 31.3 1.0 N12 A:3GK302 5.0 8.5 0.8 N2 A:3GK301 5.0 6.5 1.0

Fluorine binding site 7 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:11.4 occ:1.00 F27 B:3GK301 0.0 11.4 1.0 C24 B:3GK301 1.3 10.3 1.0 F25 B:3GK301 2.1 12.4 1.0 F26 B:3GK301 2.1 14.1 1.0 C19 B:3GK301 2.4 9.4 1.0 HB2 B:PRO167 2.7 10.6 1.0 C20 B:3GK301 2.8 8.9 1.0 O B:PRO167 3.2 8.0 1.0 HG2 B:PRO167 3.2 11.3 1.0 O B:HOH757 3.3 12.1 0.3 HA B:THR168 3.4 9.8 1.0 CB B:PRO167 3.5 8.9 1.0 C18 B:3GK301 3.5 9.5 1.0 C B:PRO167 3.6 7.7 1.0 CG B:PRO167 3.8 9.4 1.0 HG3 B:PRO167 4.1 11.3 1.0 N B:THR168 4.2 7.9 1.0 C15 B:3GK301 4.2 8.3 1.0 HB2 B:ASN170 4.2 10.0 1.0 CA B:THR168 4.2 8.2 1.0 CA B:PRO167 4.2 7.5 1.0 HB3 B:PRO167 4.3 10.6 1.0 HG23 B:THR168 4.3 14.4 1.0 HD21 B:ASN104 4.5 11.6 1.0 HG23 B:THR171 4.5 16.0 1.0 HG22 B:THR171 4.5 16.0 1.0 O B:HOH510 4.5 17.0 1.0 HD22 B:ASN170 4.5 10.9 1.0 HD22 B:ASN104 4.6 11.6 1.0 C17 B:3GK301 4.7 9.1 1.0 ND2 B:ASN104 4.7 9.7 1.0 H B:ASN170 4.8 9.6 1.0 H B:THR168 4.8 9.5 1.0 HA B:PRO167 4.8 9.0 1.0 O14 B:3GK301 4.9 8.7 1.0 O B:HOH759 4.9 21.1 1.0 HG22 B:THR168 4.9 14.4 1.0 O B:HOH757 4.9 12.3 0.7 CG2 B:THR168 5.0 9.6 1.0 O B:HOH700 5.0 20.2 1.0 C16 B:3GK301 5.0 8.3 1.0 CG2 B:THR171 5.0 10.6 1.0

Fluorine binding site 8 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:12.4 occ:1.00 F25 B:3GK301 0.0 12.4 1.0 C24 B:3GK301 1.4 10.3 1.0 F27 B:3GK301 2.1 11.4 1.0 F26 B:3GK301 2.2 14.1 1.0 C19 B:3GK301 2.4 9.4 1.0 HG22 B:THR171 2.9 16.0 1.0 HA B:THR168 2.9 9.8 1.0 HG23 B:THR171 3.0 16.0 1.0 O B:PRO167 3.0 8.0 1.0 HB2 B:ASN170 3.1 10.0 1.0 C20 B:3GK301 3.1 8.9 1.0 HA B:THR171 3.2 10.8 1.0 C18 B:3GK301 3.2 9.5 1.0 N B:THR171 3.3 8.3 1.0 CG2 B:THR171 3.4 10.6 1.0 C B:ASN170 3.4 8.0 1.0 H B:THR171 3.5 10.0 1.0 H B:ASN170 3.5 9.6 1.0 CA B:THR171 3.7 9.0 1.0 CA B:THR168 3.8 8.2 1.0 O B:ASN170 3.9 8.8 1.0 CB B:ASN170 3.9 8.3 1.0 C B:PRO167 3.9 7.7 1.0 CA B:ASN170 3.9 7.9 1.0 N B:ASN170 4.0 8.0 1.0 O B:THR168 4.0 8.5 1.0 HB2 B:PRO167 4.1 10.6 1.0 C B:THR168 4.1 8.2 1.0 CB B:THR171 4.1 9.5 1.0 HG21 B:THR171 4.2 16.0 1.0 HD22 B:ASN170 4.2 10.9 1.0 N B:THR168 4.3 7.9 1.0 C15 B:3GK301 4.4 8.3 1.0 C17 B:3GK301 4.4 9.1 1.0 HB3 B:ASN170 4.4 10.0 1.0 HG23 B:THR168 4.6 14.4 1.0 O B:HOH757 4.7 12.1 0.3 O B:HOH700 4.7 20.2 1.0 HB B:THR171 4.8 11.4 1.0 HG2 B:PRO167 4.8 11.3 1.0 C16 B:3GK301 4.9 8.3 1.0 HB B:THR168 4.9 11.0 1.0 ND2 B:ASN170 4.9 9.1 1.0 CB B:THR168 4.9 9.1 1.0 CB B:PRO167 4.9 8.9 1.0 HA B:ASN170 4.9 9.5 1.0 N B:LEU169 5.0 7.7 1.0 CG B:ASN170 5.0 7.9 1.0 H B:ASP240 5.0 10.7 1.0

Fluorine binding site 9 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:14.1 occ:1.00 F26 B:3GK301 0.0 14.1 1.0 C24 B:3GK301 1.3 10.3 1.0 F27 B:3GK301 2.1 11.4 1.0 F25 B:3GK301 2.2 12.4 1.0 C19 B:3GK301 2.3 9.4 1.0 C18 B:3GK301 2.7 9.5 1.0 O B:HOH554 3.0 19.1 1.0 O B:HOH700 3.3 20.2 1.0 HG23 B:THR171 3.3 16.0 1.0 C20 B:3GK301 3.6 8.9 1.0 HA B:THR171 4.0 10.8 1.0 O B:HOH757 4.0 12.1 0.3 HG22 B:THR171 4.1 16.0 1.0 C17 B:3GK301 4.1 9.1 1.0 OD2 B:ASP240 4.1 16.6 1.0 CG2 B:THR171 4.1 10.6 1.0 HA B:THR168 4.4 9.8 1.0 O B:HOH759 4.4 21.1 1.0 CG B:ASP240 4.6 11.5 1.0 HG21 B:THR171 4.8 16.0 1.0 C15 B:3GK301 4.8 8.3 1.0 HB2 B:PRO167 4.8 10.6 1.0 HB2 B:ASN170 4.8 10.0 1.0 CA B:THR171 4.8 9.0 1.0 O B:PRO167 4.8 8.0 1.0 OD1 B:ASP240 4.9 11.4 1.0 N B:THR171 5.0 8.3 1.0 C16 B:3GK301 5.0 8.3 1.0

Fluorine binding site 10 out of 12 in the Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Ctx-M-14 Class A Beta-Lactamase in Complex with A Non-Covalent Inhibitor at Sub-Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F302 b:17.2 occ:0.87 F27 B:3GK302 0.0 17.2 0.9 C24 B:3GK302 1.3 13.5 0.9 F25 B:3GK302 2.1 14.8 0.9 F26 B:3GK302 2.1 16.2 0.9 C19 B:3GK302 2.3 12.1 0.9 C18 B:3GK302 3.0 12.3 0.9 OG B:SER274 3.4 12.6 1.0 C20 B:3GK302 3.4 11.7 0.9 CZ B:ARG276 3.4 12.7 1.0 NE B:ARG276 3.6 10.5 1.0 NH2 B:ARG276 3.6 17.3 1.0 HD3 B:ARG276 3.7 10.1 1.0 HH21 B:ARG276 3.8 20.8 1.0 HE B:ARG276 3.8 12.6 1.0 NH1 B:ARG276 3.9 13.4 1.0 HB3 B:SER274 3.9 13.7 1.0 HH22 B:ARG276 3.9 20.8 1.0 HB2 B:SER274 3.9 13.7 1.0 CB B:SER274 4.0 11.4 1.0 HH12 B:ARG276 4.2 16.1 1.0 CD B:ARG276 4.2 8.4 1.0 HH11 B:ARG276 4.2 16.1 1.0 C17 B:3GK302 4.3 12.6 0.9 O B:HOH524 4.3 11.3 1.0 O B:HOH623 4.3 22.6 1.0 HG3 B:ARG276 4.4 10.1 1.0 C15 B:3GK302 4.6 11.9 0.9 O B:HOH584 4.7 9.2 1.0 O B:HOH683 4.8 12.4 0.5 CG B:ARG276 4.9 8.4 1.0 HB3 B:SER237 4.9 9.1 1.0 C16 B:3GK302 4.9 12.6 0.9 OG B:SER237 5.0 8.1 1.0

D.A.Nichols, J.C.Hargis, R.Sanishvili, P.Jaishankar, K.Defrees, E.W.Smith, K.K.Wang, F.Prati, A.R.Renslo, H.L.Woodcock, Y.Chen. Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed By X-Ray Crystallography. J.Am.Chem.Soc. V. 137 8086 2015.
ISSN: ESSN 1520-5126
PubMed: 26057252
DOI: 10.1021/JACS.5B00749