Mercury in PDB 5nm0: NB36 SER85CYS with Hg, Crystal Form 1

The structure of NB36 SER85CYS with Hg, Crystal Form 1, PDB code: 5nm0 was solved by S.B.Hansen, K.R.Andersen, N.S.Laursen, G.R.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.26 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.610, 93.070, 142.510, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.1

The binding sites of Mercury atom in the NB36 SER85CYS with Hg, Crystal Form 1 (pdb code 5nm0). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the NB36 SER85CYS with Hg, Crystal Form 1, PDB code: 5nm0:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the NB36 SER85CYS with Hg, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of NB36 SER85CYS with Hg, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg201 b:39.1 occ:1.00 SG A:CYS85 2.3 27.8 1.0 SG C:CYS85 2.3 22.7 1.0 O C:HOH281 3.0 27.3 1.0 HG2 A:ARG67 3.0 21.5 1.0 HA C:CYS85 3.1 20.1 1.0 O C:HOH217 3.3 24.2 1.0 HB2 A:CYS85 3.3 27.6 1.0 CB C:CYS85 3.3 17.8 1.0 CB A:CYS85 3.3 23.0 1.0 HB3 C:CYS85 3.4 21.3 1.0 HB3 A:CYS85 3.5 27.6 1.0 HA A:ARG67 3.5 23.1 1.0 CA C:CYS85 3.6 16.8 1.0 H C:CYS85 3.8 20.1 1.0 O A:GLY66 4.0 26.3 1.0 CG A:ARG67 4.0 17.9 1.0 O C:GLY16 4.0 25.5 1.0 N C:CYS85 4.0 16.7 1.0 HB2 C:CYS85 4.2 21.3 1.0 O C:HOH282 4.3 47.5 1.0 CA A:ARG67 4.3 19.2 1.0 HB3 A:ARG67 4.3 24.4 1.0 CB A:ARG67 4.4 20.3 1.0 HA2 C:GLY16 4.4 30.5 1.0 O A:HOH360 4.5 37.7 1.0 HD2 A:ARG67 4.5 26.8 1.0 C A:GLY66 4.6 23.8 1.0 HD3 A:ARG67 4.6 26.8 1.0 HG3 A:ARG67 4.6 21.5 1.0 HB3 C:ASN84 4.6 21.0 1.0 CD A:ARG67 4.6 22.3 1.0 HB2 A:ASN84 4.7 28.1 1.0 O A:HOH345 4.7 39.4 1.0 N A:ARG67 4.7 20.9 1.0 CA A:CYS85 4.8 24.4 1.0 HB3 A:ASN84 4.9 28.1 1.0 C C:GLY16 4.9 23.7 1.0 C C:CYS85 5.0 20.3 1.0

Mercury binding site 2 out of 2 in the NB36 SER85CYS with Hg, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of NB36 SER85CYS with Hg, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg201 b:37.9 occ:1.00 SG B:CYS85 2.3 26.6 1.0 SG D:CYS85 2.3 26.0 1.0 O D:HOH266 2.9 34.3 1.0 HG D:CYS85 3.0 31.2 1.0 HA D:CYS85 3.1 27.3 1.0 HG2 B:ARG67 3.1 24.3 1.0 HB2 B:CYS85 3.3 34.0 1.0 CB B:CYS85 3.3 28.4 1.0 CB D:CYS85 3.4 21.2 1.0 O D:HOH219 3.4 24.8 1.0 HB3 D:CYS85 3.5 25.4 1.0 HB3 B:CYS85 3.5 34.0 1.0 HA B:ARG67 3.6 24.4 1.0 CA D:CYS85 3.6 22.8 1.0 H D:CYS85 3.8 26.0 1.0 O B:GLY66 3.9 26.3 1.0 N D:CYS85 4.0 21.7 1.0 CG B:ARG67 4.1 20.2 1.0 O D:GLY16 4.1 33.5 1.0 HB2 D:CYS85 4.2 25.4 1.0 CA B:ARG67 4.4 20.3 1.0 HB3 B:ARG67 4.4 27.1 1.0 HA2 D:GLY16 4.5 37.2 1.0 CB B:ARG67 4.5 22.6 1.0 HD2 B:ARG67 4.5 25.7 1.0 C B:GLY66 4.6 21.9 1.0 O B:HOH348 4.6 41.0 1.0 HD3 B:ARG67 4.6 25.7 1.0 HB3 D:ASN84 4.6 23.7 1.0 HG3 B:ARG67 4.7 24.3 1.0 CD B:ARG67 4.7 21.4 1.0 CA B:CYS85 4.7 23.4 1.0 N B:ARG67 4.8 20.5 1.0 O B:HOH368 4.8 37.0 1.0 HB2 B:ASN84 4.8 27.1 1.0

S.B.Hansen, N.S.Laursen, G.R.Andersen, K.R.Andersen. Introducing Site-Specific Cysteines Into Nanobodies For Mercury Labelling Allows De Novo Phasing of Their Crystal Structures. Acta Crystallogr D Struct V. 73 804 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 28994409
DOI: 10.1107/S2059798317013171