Mercury in PDB 3wj7: Crystal Structure of GOX2253

The structure of Crystal Structure of GOX2253, PDB code: 3wj7 was solved by Y.A.Yuan, B.Yin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.04 / 2.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	127.026, 159.253, 125.402, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 27.3

The binding sites of Mercury atom in the Crystal Structure of GOX2253 (pdb code 3wj7). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 6 binding sites of Mercury where determined in the Crystal Structure of GOX2253, PDB code: 3wj7:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in the Crystal Structure of GOX2253


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of GOX2253 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:0.9 occ:1.00 SG A:CYS121 2.9 43.0 1.0 O A:HOH515 3.0 23.0 1.0 O A:SER122 3.1 30.8 1.0 CB A:CYS121 3.8 32.5 1.0 O A:CYS121 3.9 32.4 1.0 C A:CYS121 4.0 30.0 1.0 C A:SER122 4.1 28.3 1.0 CG A:PRO178 4.2 41.1 1.0 N A:SER122 4.2 29.4 1.0 CA A:CYS121 4.5 31.2 1.0 CD A:PRO178 4.5 39.3 1.0 CA A:SER122 4.5 27.5 1.0 CG1 A:VAL81 4.6 33.4 1.0 CB A:ALA82 4.7 54.6 1.0 N A:ALA82 4.8 48.7 1.0 CB A:SER123 4.9 29.6 1.0 NZ A:LYS155 5.0 60.9 1.0

Mercury binding site 2 out of 6 in the Crystal Structure of GOX2253


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of GOX2253 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:0.1 occ:1.00 SG A:CYS199 2.9 65.8 1.0 O A:CYS199 3.2 56.7 1.0 O A:LYS260 3.5 57.8 1.0 OG A:SER254 3.5 64.8 1.0 CA A:CYS199 3.6 52.6 1.0 C A:CYS199 3.7 53.8 1.0 CB A:CYS199 3.8 57.0 1.0 N A:PRO262 3.9 62.5 1.0 CD A:PRO262 4.0 66.7 1.0 CG A:PRO262 4.1 61.6 1.0 C A:PRO261 4.2 60.4 1.0 CA A:PRO261 4.2 60.6 1.0 CE A:MET204 4.4 65.0 1.0 CA A:PRO262 4.4 65.0 1.0 CG1 A:VAL259 4.4 46.7 1.0 O A:MET204 4.4 78.0 1.0 CB A:PRO262 4.5 66.7 1.0 C A:LYS260 4.5 62.5 1.0 CB A:SER254 4.8 53.8 1.0 N A:PRO261 4.9 58.5 1.0 CB A:MET204 4.9 76.4 1.0 CA A:GLY202 4.9 64.3 1.0 N A:ALA200 4.9 50.1 1.0 O A:PRO261 4.9 66.1 1.0 N A:CYS199 5.0 55.1 1.0

Mercury binding site 3 out of 6 in the Crystal Structure of GOX2253


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of GOX2253 within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg401 b:0.4 occ:1.00 SG B:CYS121 3.0 43.9 1.0 O B:SER122 3.1 29.6 1.0 NZ B:LYS155 3.5 48.5 1.0 O B:CYS121 3.9 32.4 1.0 C B:CYS121 3.9 30.1 1.0 CB B:CYS121 3.9 34.6 1.0 C B:SER122 4.0 28.4 1.0 N B:SER122 4.2 28.5 1.0 CE B:LYS155 4.2 54.7 1.0 CB B:ALA82 4.2 73.1 1.0 CG B:PRO178 4.4 28.1 1.0 CA B:SER122 4.5 27.6 1.0 CA B:CYS121 4.5 31.1 1.0 N B:ALA82 4.6 62.0 1.0 CB B:SER123 4.7 30.1 1.0 CD B:PRO178 4.7 28.0 1.0 O B:HOH513 4.9 48.8 1.0 N B:SER123 5.0 27.5 1.0

Mercury binding site 4 out of 6 in the Crystal Structure of GOX2253


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of GOX2253 within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg402 b:0.8 occ:1.00 O B:CYS199 3.2 52.2 1.0 SG B:CYS199 3.3 60.9 1.0 CA B:CYS199 3.5 56.0 1.0 CD B:PRO262 3.6 69.8 1.0 N B:PRO262 3.7 65.7 1.0 C B:CYS199 3.8 53.0 1.0 O B:MET204 3.8 57.9 1.0 CB B:CYS199 3.8 63.1 1.0 CG B:PRO262 3.9 68.2 1.0 OG B:SER254 4.0 43.8 1.0 O B:LYS260 4.0 59.1 1.0 CB B:PRO262 4.1 62.8 1.0 CE B:MET204 4.1 60.1 1.0 CB B:MET204 4.3 66.8 1.0 CA B:PRO262 4.3 62.9 1.0 C B:PRO261 4.3 60.8 1.0 N B:MET204 4.7 69.2 1.0 CA B:GLY202 4.7 58.6 1.0 CA B:PRO261 4.7 59.4 1.0 N B:CYS199 4.7 55.9 1.0 C B:MET204 4.8 63.8 1.0 O B:ASP198 4.8 60.5 1.0 CA B:MET204 4.9 68.2 1.0 N B:GLY202 4.9 62.3 1.0

Mercury binding site 5 out of 6 in the Crystal Structure of GOX2253


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of GOX2253 within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg401 b:0.2 occ:1.00 SG C:CYS121 2.9 58.4 1.0 O C:SER122 3.1 42.9 1.0 CB C:CYS121 3.8 45.9 1.0 O C:CYS121 4.1 44.2 1.0 C C:CYS121 4.1 43.8 1.0 C C:SER122 4.2 39.9 1.0 CG C:PRO178 4.2 40.8 1.0 N C:SER122 4.4 40.4 1.0 CA C:CYS121 4.5 45.6 1.0 NZ C:LYS155 4.5 66.8 1.0 CD C:PRO178 4.6 36.7 1.0 CG1 C:VAL81 4.7 51.6 1.0 CB C:ALA82 4.7 60.9 1.0 CA C:SER122 4.7 41.6 1.0 N C:ALA82 5.0 60.1 1.0 CD1 C:TYR85 5.0 69.8 1.0

Mercury binding site 6 out of 6 in the Crystal Structure of GOX2253


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure of GOX2253 within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg402 b:0.1 occ:1.00 SG C:CYS199 3.2 76.3 1.0 CD C:PRO262 3.5 64.7 1.0 O C:CYS199 3.6 70.8 1.0 N C:PRO262 3.6 61.2 1.0 O C:MET204 3.7 83.7 1.0 CE C:MET204 3.7 82.0 1.0 CA C:CYS199 3.8 62.2 1.0 CB C:PRO262 3.9 64.1 1.0 CB C:MET204 3.9 81.7 1.0 CG C:PRO262 4.0 65.1 1.0 O C:LYS260 4.0 56.1 1.0 OG C:SER254 4.0 60.8 1.0 CA C:PRO262 4.1 60.6 1.0 C C:CYS199 4.1 62.8 1.0 CB C:CYS199 4.1 66.1 1.0 C C:PRO261 4.2 56.0 1.0 N C:MET204 4.5 80.2 1.0 C C:MET204 4.5 77.5 1.0 CA C:MET204 4.5 82.5 1.0 CA C:PRO261 4.6 55.6 1.0 O C:ASP198 4.9 70.3 1.0 CA C:GLY202 4.9 72.4 1.0 N C:CYS199 5.0 60.4 1.0 O C:PRO261 5.0 51.2 1.0

B.Yin, D.Cui, L.Zhang, S.Jiang, S.Machida, Y.A.Yuan, D.Wei. Structural Insights Into Substrate and Coenzyme Preference By Sdr Family Protein GOX2253 From Gluconobater Oxydans. Proteins 2014.
ISSN: ESSN 1097-0134
PubMed: 24825769
DOI: 10.1002/PROT.24603