Mercury in PDB 4xym: Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+

The structure of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+, PDB code: 4xym was solved by R.H.-J.Weisse, A.J.Scheidig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.02 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.560, 114.416, 127.040, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.7

The structure of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	6 atoms
Sodium	(Na)	1 atom

The binding sites of Mercury atom in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ (pdb code 4xym). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 8 binding sites of Mercury where determined in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+, PDB code: 4xym:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Mercury binding site 1 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg502 b:55.5 occ:0.81 CL A:CL501 2.3 52.9 0.8 O A:ALA49 2.6 49.1 1.0 O A:ASN46 2.7 41.3 1.0 SG A:CYS57 2.8 42.3 1.0 HB3 A:CYS57 3.3 46.6 1.0 C A:TYR58 3.3 44.0 1.0 O A:TYR58 3.3 44.9 1.0 H A:ASN46 3.4 45.1 1.0 C A:CYS57 3.5 42.2 1.0 N A:TYR58 3.5 38.3 1.0 CB A:CYS57 3.5 38.9 1.0 O A:CYS57 3.6 42.9 1.0 HA A:PRO59 3.6 52.7 1.0 HA A:TYR58 3.6 48.7 1.0 C A:ALA49 3.7 47.9 1.0 HB3 A:ASN46 3.7 42.6 1.0 N A:PRO59 3.7 45.2 1.0 CA A:TYR58 3.7 40.6 1.0 C A:ASN46 3.7 40.7 1.0 HB3 A:ALA49 3.7 56.9 1.0 HG A:CYS57 3.7 50.7 1.0 H A:ALA49 3.8 58.2 1.0 N A:ALA49 3.8 48.5 1.0 H A:TYR58 3.9 46.0 1.0 HD3 A:PRO59 3.9 53.5 1.0 C A:THR48 4.1 49.0 1.0 CA A:ALA49 4.1 43.4 1.0 CA A:CYS57 4.1 43.8 1.0 N A:ASN46 4.1 37.6 1.0 CA A:PRO59 4.2 43.9 1.0 N A:THR48 4.2 44.6 1.0 H A:THR48 4.3 53.6 1.0 CA A:ASN46 4.3 39.8 1.0 CD A:PRO59 4.4 44.6 1.0 HB2 A:CYS57 4.4 46.6 1.0 HB3 A:PRO59 4.4 53.8 1.0 CB A:ASN46 4.4 35.5 1.0 CB A:ALA49 4.4 47.4 1.0 C A:PRO47 4.4 44.0 1.0 O A:THR48 4.5 46.9 1.0 CA A:THR48 4.6 44.2 1.0 HA A:CYS57 4.7 52.6 1.0 HA A:THR48 4.7 53.0 1.0 N A:PRO47 4.7 43.2 1.0 OD1 A:ASN46 4.7 42.6 1.0 O A:PRO47 4.8 46.8 1.0 HA A:ASP50 4.8 63.5 1.0 CB A:PRO59 4.8 44.9 1.0 HA A:ILE45 4.8 40.2 1.0 N A:ASP50 4.8 50.5 1.0 HA A:PRO47 4.9 51.0 1.0 CA A:PRO47 4.9 42.5 1.0 HB1 A:ALA49 5.0 56.9 1.0

Mercury binding site 2 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg504 b:50.7 occ:0.31 CL A:CL503 2.4 31.5 0.3 SG A:CYS87 2.4 35.6 1.0 HG13 A:VAL83 2.5 43.3 1.0 HG23 A:VAL61 2.8 48.7 1.0 HG21 A:VAL61 2.8 48.7 1.0 HB A:VAL61 2.8 44.3 1.0 O A:VAL83 2.9 39.9 1.0 H A:CYS87 3.0 49.9 1.0 HG12 A:VAL83 3.0 43.3 1.0 HB3 A:ASP86 3.0 48.2 1.0 CG2 A:VAL61 3.1 40.6 1.0 CG1 A:VAL83 3.2 36.1 1.0 HG A:CYS87 3.2 42.7 1.0 N A:CYS87 3.3 41.5 1.0 CB A:VAL61 3.4 36.9 1.0 HA A:CYS87 3.5 47.1 1.0 H A:VAL61 3.5 42.8 1.0 CB A:CYS87 3.5 35.9 1.0 OD2 A:ASP86 3.6 44.1 1.0 HG21 A:VAL16 3.6 43.3 1.0 CA A:CYS87 3.6 39.2 1.0 HA A:VAL83 3.7 50.4 1.0 HB2 A:CYS87 3.8 43.1 1.0 HG11 A:VAL83 3.8 43.3 1.0 C A:VAL83 3.8 37.9 1.0 CB A:ASP86 3.9 40.2 1.0 C A:ASP86 4.0 43.2 1.0 HG22 A:VAL61 4.0 48.7 1.0 CA A:VAL83 4.1 42.0 1.0 HG11 A:VAL61 4.2 45.2 1.0 CG A:ASP86 4.2 43.7 1.0 CB A:VAL83 4.3 37.7 1.0 N A:VAL61 4.3 35.6 1.0 HB3 A:CYS87 4.3 43.1 1.0 HG22 A:VAL16 4.4 43.3 1.0 CG1 A:VAL61 4.4 37.7 1.0 CG2 A:VAL16 4.4 36.1 1.0 HG11 A:VAL16 4.5 41.0 1.0 CA A:VAL61 4.5 37.5 1.0 CA A:ASP86 4.5 42.3 1.0 HB2 A:ASP86 4.6 48.2 1.0 HB1 A:ALA71 4.7 35.8 1.0 HG22 A:VAL83 4.7 50.4 1.0 H A:ASP86 4.8 44.4 1.0 O A:ASP86 4.8 42.7 1.0 HG11 A:VAL92 4.9 43.7 1.0 HG12 A:VAL61 4.9 45.2 1.0 HB2 A:ALA71 4.9 35.8 1.0 N A:ASP86 5.0 37.0 1.0 HB A:VAL83 5.0 45.2 1.0 HG23 A:VAL16 5.0 43.3 1.0 N A:ILE84 5.0 39.2 1.0 HG21 A:ILE45 5.0 42.0 1.0

Mercury binding site 3 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg505 b:48.1 occ:0.29 HE1 A:MET209 2.6 62.2 1.0 HE2 A:MET209 2.8 62.2 1.0 CE A:MET209 3.0 51.9 1.0 SD A:MET209 3.3 43.7 1.0 HG21 A:ILE176 3.3 37.0 1.0 HG22 A:THR171 3.3 28.6 1.0 HG21 A:THR287 3.3 39.2 1.0 HG11 A:VAL154 3.4 29.8 1.0 HD13 A:ILE176 3.5 34.8 1.0 HB2 A:PHE156 3.7 34.8 1.0 CE1 A:PHE284 3.7 35.2 1.0 HD11 A:ILE178 3.7 34.1 1.0 HE1 A:PHE284 3.8 42.2 1.0 CZ A:PHE284 3.8 35.2 1.0 HE3 A:MET209 3.9 62.2 1.0 HB3 A:MET209 3.9 30.8 1.0 HD12 A:ILE176 4.0 34.8 1.0 HZ A:PHE284 4.0 42.2 1.0 HG21 A:THR171 4.0 28.6 1.0 CG2 A:THR171 4.1 23.8 1.0 HG12 A:VAL154 4.1 29.8 1.0 CD1 A:PHE284 4.1 32.6 1.0 CG1 A:VAL154 4.2 24.8 1.0 CD1 A:ILE176 4.2 29.0 1.0 CG2 A:ILE176 4.2 30.8 1.0 CG2 A:THR287 4.3 32.7 1.0 CE2 A:PHE284 4.3 36.6 1.0 HB2 A:MET209 4.4 30.8 1.0 HG22 A:ILE176 4.5 37.0 1.0 HD1 A:PHE284 4.5 39.1 1.0 HB A:THR287 4.5 34.9 1.0 CB A:MET209 4.5 25.6 1.0 CD1 A:ILE178 4.5 28.4 1.0 CB A:PHE156 4.5 29.0 1.0 HG23 A:THR171 4.5 28.6 1.0 CG A:MET209 4.6 34.4 1.0 HA A:PHE284 4.6 33.1 1.0 HD13 A:ILE178 4.6 34.1 1.0 CG A:PHE284 4.6 28.2 1.0 HD1 A:PHE156 4.6 35.0 1.0 OG1 A:THR287 4.6 28.9 1.0 HG13 A:VAL154 4.6 29.8 1.0 CG A:PHE156 4.7 28.6 1.0 CD2 A:PHE284 4.7 29.1 1.0 HG22 A:THR287 4.7 39.2 1.0 HD12 A:ILE178 4.7 34.1 1.0 CB A:THR287 4.7 29.1 1.0 HB A:ILE176 4.8 33.1 1.0 CD1 A:PHE156 4.8 29.2 1.0 HG23 A:ILE176 4.8 37.0 1.0 HE2 A:PHE284 4.8 44.0 1.0 HG23 A:THR287 4.8 39.2 1.0 HD11 A:ILE176 4.8 34.8 1.0 HG2 A:MET209 4.9 41.2 1.0 CB A:ILE176 5.0 27.6 1.0 HB3 A:PHE156 5.0 34.8 1.0

Mercury binding site 4 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg507 b:47.9 occ:0.48 CL A:CL506 2.3 19.4 0.5 SG A:CYS382 2.6 33.4 1.0 HB2 A:ALA310 2.8 37.4 1.0 O A:HOH691 3.0 34.3 1.0 HG23 A:VAL414 3.1 32.9 1.0 HB1 A:ALA310 3.1 37.4 1.0 O A:TYR381 3.2 26.9 1.0 C A:TYR381 3.2 29.0 1.0 CB A:ALA310 3.3 31.2 1.0 HB A:VAL414 3.3 31.8 1.0 HA A:CYS382 3.4 30.2 1.0 N A:CYS382 3.4 27.9 1.0 H A:TYR381 3.4 35.8 1.0 HG21 A:VAL414 3.5 32.9 1.0 HG A:CYS382 3.5 40.1 1.0 HB3 A:ALA310 3.6 37.4 1.0 HB3 A:LEU380 3.6 32.0 1.0 CG2 A:VAL414 3.7 27.4 1.0 CA A:CYS382 3.7 25.2 1.0 HD13 C:LEU163 3.7 41.9 1.0 H A:VAL414 3.7 31.6 1.0 N A:TYR381 3.7 29.8 1.0 CB A:CYS382 3.7 29.5 1.0 H A:CYS382 3.8 33.5 1.0 HD3 A:PRO437 3.9 35.1 1.0 CB A:VAL414 4.0 26.5 1.0 CA A:TYR381 4.1 27.0 1.0 HB2 A:CYS382 4.1 35.4 1.0 HG3 A:PRO437 4.2 35.6 1.0 HB3 A:PRO437 4.2 33.2 1.0 HD12 C:LEU163 4.2 41.9 1.0 N A:VAL414 4.3 26.4 1.0 CD1 C:LEU163 4.4 34.9 1.0 C A:LEU380 4.4 29.6 1.0 HA A:TYR381 4.4 32.4 1.0 CB A:LEU380 4.5 26.7 1.0 HB3 A:CYS382 4.5 35.4 1.0 HA A:MET413 4.5 33.6 1.0 HG22 A:VAL414 4.6 32.9 1.0 O A:HOH692 4.7 40.2 1.0 CA A:ALA310 4.7 32.8 1.0 HD11 C:LEU163 4.7 41.9 1.0 HA A:LEU380 4.7 28.8 1.0 CD A:PRO437 4.8 29.3 1.0 HB2 A:LEU380 4.8 32.0 1.0 CA A:VAL414 4.8 25.3 1.0 OD1 A:ASN306 4.8 33.3 1.0 CG A:PRO437 4.8 29.7 1.0 HA A:ALA310 4.8 39.3 1.0 CA A:LEU380 4.8 24.0 1.0 HA C:LEU163 4.9 35.3 1.0 O A:GLY412 4.9 27.6 1.0 CB A:PRO437 5.0 27.6 1.0 HD22 A:LEU380 5.0 30.4 1.0

Mercury binding site 5 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg502 b:60.1 occ:0.78 CL C:CL501 2.2 47.6 0.8 O C:ALA49 2.5 40.5 1.0 SG C:CYS57 2.8 52.8 1.0 O C:ASN46 2.9 45.2 1.0 HG C:CYS57 3.0 63.4 1.0 HB3 C:CYS57 3.2 51.5 1.0 C C:TYR58 3.3 45.8 1.0 O C:TYR58 3.4 45.9 1.0 C C:CYS57 3.4 48.3 1.0 H C:ASN46 3.4 45.9 1.0 O C:CYS57 3.5 49.6 1.0 CB C:CYS57 3.5 42.9 1.0 N C:TYR58 3.5 41.2 1.0 HA C:TYR58 3.6 51.9 1.0 C C:ALA49 3.6 49.2 1.0 CA C:TYR58 3.7 43.3 1.0 HB3 C:ASN46 3.7 52.5 1.0 N C:PRO59 3.7 44.4 1.0 HA C:PRO59 3.7 54.3 1.0 HB3 C:ALA49 3.8 54.9 1.0 N C:ALA49 3.8 50.2 1.0 C C:ASN46 3.8 45.2 1.0 H C:ALA49 3.8 60.3 1.0 HD3 C:PRO59 3.9 53.6 1.0 H C:TYR58 3.9 49.4 1.0 CA C:CYS57 4.1 44.7 1.0 C C:THR48 4.1 49.1 1.0 CA C:ALA49 4.2 48.8 1.0 N C:ASN46 4.2 38.3 1.0 CA C:PRO59 4.2 45.2 1.0 N C:THR48 4.3 47.7 1.0 HB2 C:CYS57 4.3 51.5 1.0 H C:THR48 4.3 57.2 1.0 CD C:PRO59 4.4 44.6 1.0 CA C:ASN46 4.4 41.6 1.0 HB3 C:PRO59 4.4 50.1 1.0 CB C:ASN46 4.5 43.8 1.0 CB C:ALA49 4.5 45.7 1.0 C C:PRO47 4.5 48.7 1.0 O C:THR48 4.6 53.5 1.0 HA C:CYS57 4.6 53.6 1.0 CA C:THR48 4.6 47.3 1.0 HA C:ASP50 4.7 61.7 1.0 HA C:THR48 4.7 56.8 1.0 N C:ASP50 4.8 52.1 1.0 HA C:ILE45 4.8 40.4 1.0 CB C:PRO59 4.8 41.8 1.0 O C:PRO47 4.8 41.8 1.0 N C:PRO47 4.8 43.7 1.0 OD1 C:ASN46 4.9 38.5 1.0 H C:CYS57 5.0 54.0 1.0

Mercury binding site 6 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg504 b:51.8 occ:0.33 HG13 C:VAL83 2.3 47.0 1.0 SG C:CYS87 2.4 41.6 1.0 CL C:CL503 2.5 31.5 0.3 HG12 C:VAL83 2.9 47.0 1.0 O C:VAL83 2.9 38.4 1.0 HG23 C:VAL61 2.9 48.0 1.0 HB C:VAL61 3.0 51.2 1.0 HG21 C:VAL61 3.0 48.0 1.0 H C:CYS87 3.0 44.4 1.0 HB3 C:ASP86 3.0 48.2 1.0 CG1 C:VAL83 3.0 39.2 1.0 HG C:CYS87 3.1 50.0 1.0 CG2 C:VAL61 3.3 40.0 1.0 N C:CYS87 3.3 37.0 1.0 CB C:CYS87 3.5 39.2 1.0 HA C:VAL83 3.5 45.5 1.0 OD2 C:ASP86 3.6 48.5 1.0 HA C:CYS87 3.6 46.1 1.0 CB C:VAL61 3.6 42.7 1.0 HG21 C:VAL16 3.6 46.0 1.0 H C:VAL61 3.6 48.7 1.0 HB2 C:CYS87 3.6 47.1 1.0 HG11 C:VAL83 3.6 47.0 1.0 CA C:CYS87 3.7 38.4 1.0 C C:VAL83 3.7 37.5 1.0 CB C:ASP86 3.9 40.2 1.0 CA C:VAL83 4.0 37.9 1.0 CB C:VAL83 4.1 40.5 1.0 C C:ASP86 4.1 41.6 1.0 HG22 C:VAL61 4.2 48.0 1.0 CG C:ASP86 4.2 44.9 1.0 HB3 C:CYS87 4.3 47.1 1.0 HG11 C:VAL61 4.4 51.9 1.0 N C:VAL61 4.4 40.6 1.0 CG2 C:VAL16 4.5 38.3 1.0 HG22 C:VAL16 4.5 46.0 1.0 HG22 C:VAL83 4.5 51.5 1.0 HG11 C:VAL16 4.5 45.6 1.0 CA C:ASP86 4.5 39.6 1.0 HB2 C:ASP86 4.6 48.2 1.0 CG1 C:VAL61 4.6 43.3 1.0 CA C:VAL61 4.6 46.0 1.0 HB1 C:ALA71 4.7 40.8 1.0 H C:ASP86 4.7 47.5 1.0 HD11 C:ILE73 4.8 36.4 1.0 HB C:VAL83 4.8 48.5 1.0 CG2 C:VAL83 4.9 42.9 1.0 HG12 C:ILE73 4.9 41.8 1.0 N C:ILE84 4.9 39.7 1.0 HG21 C:ILE45 4.9 42.2 1.0 O C:ASP86 5.0 42.4 1.0 N C:ASP86 5.0 39.6 1.0 HG23 C:VAL16 5.0 46.0 1.0

Mercury binding site 7 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg505 b:61.6 occ:0.33 HE1 C:MET209 2.6 50.5 1.0 HE2 C:MET209 2.7 50.5 1.0 CE C:MET209 2.9 42.1 1.0 SD C:MET209 3.1 44.3 1.0 HG22 C:THR171 3.3 36.6 1.0 HG21 C:ILE176 3.4 40.3 1.0 HG21 C:THR287 3.4 35.9 1.0 HG11 C:VAL154 3.4 35.6 1.0 HD13 C:ILE176 3.6 42.8 1.0 CE1 C:PHE284 3.6 36.8 1.0 HE1 C:PHE284 3.7 44.2 1.0 HB2 C:PHE156 3.7 27.7 1.0 HB3 C:MET209 3.8 33.9 1.0 CZ C:PHE284 3.8 30.4 1.0 HE3 C:MET209 3.9 50.5 1.0 HD11 C:ILE178 3.9 35.9 1.0 HZ C:PHE284 3.9 36.4 1.0 HD12 C:ILE176 4.0 42.8 1.0 HG21 C:THR171 4.0 36.6 1.0 CD1 C:PHE284 4.1 31.8 1.0 CG2 C:THR171 4.1 30.5 1.0 HG12 C:VAL154 4.2 35.6 1.0 CG1 C:VAL154 4.2 29.6 1.0 HB2 C:MET209 4.2 33.9 1.0 CD1 C:ILE176 4.3 35.7 1.0 CB C:MET209 4.3 28.2 1.0 CG2 C:ILE176 4.3 33.6 1.0 CE2 C:PHE284 4.3 27.7 1.0 CG2 C:THR287 4.4 29.9 1.0 CG C:MET209 4.4 36.5 1.0 HD1 C:PHE284 4.4 38.2 1.0 HD1 C:PHE156 4.5 38.1 1.0 HG23 C:THR171 4.5 36.6 1.0 HB C:THR287 4.5 34.8 1.0 HA C:PHE284 4.6 30.1 1.0 CB C:PHE156 4.6 23.1 1.0 HG22 C:ILE176 4.6 40.3 1.0 CG C:PHE284 4.6 26.7 1.0 OG1 C:THR287 4.6 28.6 1.0 HG13 C:VAL154 4.6 35.6 1.0 CD1 C:PHE156 4.7 31.7 1.0 CG C:PHE156 4.7 30.0 1.0 CD1 C:ILE178 4.7 29.9 1.0 CD2 C:PHE284 4.7 27.8 1.0 HG2 C:MET209 4.8 43.9 1.0 CB C:THR287 4.8 29.0 1.0 HD13 C:ILE178 4.8 35.9 1.0 HE2 C:PHE284 4.8 33.2 1.0 HG22 C:THR287 4.8 35.9 1.0 HB C:ILE176 4.8 42.9 1.0 HD12 C:ILE178 4.9 35.9 1.0 HD11 C:ILE176 4.9 42.8 1.0 HG23 C:ILE176 4.9 40.3 1.0 HG23 C:THR287 4.9 35.9 1.0

Mercury binding site 8 out of 8 in the Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Ca. Korarchaeum Cryptofilum Dinucleotide Forming Acetyl-Coenzyme A Synthetase 1 in Complex with Coenzyme A, Ca-Ampcp and Hgcl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg507 b:44.3 occ:0.39 HG C:CYS382 1.8 42.9 1.0 CL C:CL506 2.4 19.4 0.4 SG C:CYS382 2.6 35.7 1.0 HB2 C:ALA310 2.8 41.1 1.0 O C:HOH640 3.0 30.8 1.0 O C:TYR381 3.2 24.9 1.0 C C:TYR381 3.2 26.4 1.0 HG23 C:VAL414 3.2 34.5 1.0 N C:CYS382 3.2 23.2 1.0 HA C:CYS382 3.2 29.6 1.0 HB1 C:ALA310 3.2 41.1 1.0 HB C:VAL414 3.3 36.7 1.0 CB C:ALA310 3.4 34.2 1.0 H C:TYR381 3.5 34.4 1.0 CA C:CYS382 3.5 24.6 1.0 CB C:CYS382 3.5 25.0 1.0 H C:CYS382 3.6 27.9 1.0 HG21 C:VAL414 3.6 34.5 1.0 H C:VAL414 3.6 29.2 1.0 HB3 C:ALA310 3.7 41.1 1.0 HD13 A:LEU163 3.7 42.3 1.0 CG2 C:VAL414 3.7 28.8 1.0 HB3 C:LEU380 3.7 35.5 1.0 N C:TYR381 3.8 28.6 1.0 CB C:VAL414 3.9 30.6 1.0 HB2 C:CYS382 4.0 30.0 1.0 CA C:TYR381 4.0 30.8 1.0 HD3 C:PRO437 4.0 26.9 1.0 N C:VAL414 4.3 24.3 1.0 HD12 A:LEU163 4.3 42.3 1.0 HB3 C:CYS382 4.3 30.0 1.0 HG3 C:PRO437 4.3 30.6 1.0 HA C:TYR381 4.3 37.0 1.0 CD1 A:LEU163 4.4 35.3 1.0 HB3 C:PRO437 4.4 26.1 1.0 C C:LEU380 4.5 31.5 1.0 HA C:MET413 4.6 35.8 1.0 CB C:LEU380 4.6 29.6 1.0 HG22 C:VAL414 4.6 34.5 1.0 CA C:VAL414 4.7 24.3 1.0 O C:HOH615 4.7 36.5 1.0 HD11 A:LEU163 4.8 42.3 1.0 CA C:ALA310 4.8 29.0 1.0 HA A:LEU163 4.8 37.0 1.0 HA C:ALA310 4.9 34.8 1.0 HB2 C:LEU380 4.9 35.5 1.0 HA C:LEU380 4.9 32.8 1.0 CD C:PRO437 4.9 22.4 1.0 OD1 C:ASN306 4.9 27.9 1.0 CG C:PRO437 4.9 25.5 1.0 CA C:LEU380 5.0 27.3 1.0 O C:GLY412 5.0 30.0 1.0 C C:CYS382 5.0 29.4 1.0

R.H.Weie, A.Faust, M.Schmidt, P.Schonheit, A.J.Scheidig. Structure of Ndp-Forming Acetyl-Coa Synthetase ACD1 Reveals A Large Rearrangement For Phosphoryl Transfer. Proc.Natl.Acad.Sci.Usa V. 113 E519 2016.
ISSN: ESSN 1091-6490
PubMed: 26787904
DOI: 10.1073/PNAS.1518614113