Mercury in PDB 1joe: Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae

The structure of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae, PDB code: 1joe was solved by C.C.H.Chen, J.F.Parsons, K.Lim, C.Lehmann, A.Tempczyk, E.Eisenstein, O.Herzberg, Structure 2 Function Project (S2F), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.40
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	115.530, 115.530, 51.230, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 29.9

The structure of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Mercury atom in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae (pdb code 1joe). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae, PDB code: 1joe:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


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 Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg201 b:37.6 occ:0.50 O A:HOH216 2.3 31.7 1.0 SG A:CYS41 2.4 55.0 1.0 CB A:CYS41 3.2 35.0 1.0 O A:PHE40 3.4 53.4 1.0 CA A:CYS41 3.6 39.6 1.0 C A:PHE40 3.8 40.7 1.0 CD1 A:LEU48 3.8 34.8 1.0 N A:CYS41 3.9 45.6 1.0 CB A:GLU46 4.3 52.1 1.0 OE1 A:GLU46 4.3 30.0 1.0 CB A:PHE40 4.4 24.3 1.0 CD A:GLU46 4.4 41.8 1.0 OE2 A:GLU46 4.6 33.1 1.0 O A:ILE47 4.6 59.4 1.0 N A:ILE47 4.7 35.9 1.0 C A:ILE47 4.7 45.8 1.0 C A:GLU46 4.8 45.0 1.0 CA A:PHE40 4.8 31.8 1.0 CA A:ILE47 4.9 37.1 1.0 CG A:GLU46 4.9 47.1 1.0 O A:GLU46 5.0 62.1 1.0

Mercury binding site 2 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


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 Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg202 b:46.8 occ:0.50 SG B:CYS41 2.4 80.8 1.0 O B:HOH213 2.7 16.1 1.0 CB B:CYS41 3.1 47.3 1.0 OE2 B:GLU46 3.2 70.0 1.0 CD B:GLU46 3.6 81.7 1.0 O B:HOH207 3.6 48.8 1.0 CA B:CYS41 3.7 42.6 1.0 N B:CYS41 4.1 41.1 1.0 CG B:GLU46 4.2 79.0 1.0 CB B:GLU46 4.2 73.8 1.0 OE1 B:GLU46 4.2 86.4 1.0 OD1 B:ASN145 4.2 71.2 1.0 CD1 B:LEU48 4.3 23.7 1.0 O B:PHE40 4.4 33.2 1.0 C B:PHE40 4.4 35.7 1.0 N B:ILE47 4.8 66.0 1.0 CB B:PHE40 4.9 39.3 1.0 C B:ILE47 5.0 57.4 1.0 O B:ILE47 5.0 53.4 1.0

Mercury binding site 3 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


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 Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg203 b:56.0 occ:0.50 SG C:CYS41 2.4 78.0 1.0 OE1 C:GLU46 2.5 80.8 1.0 CB C:CYS41 3.1 42.0 1.0 CD C:GLU46 3.2 74.2 1.0 CA C:CYS41 3.5 46.5 1.0 CD1 C:ILE142 3.6 27.9 1.0 OE2 C:GLU46 3.8 64.8 1.0 NH2 C:ARG149 3.9 80.1 1.0 O C:PHE40 3.9 40.7 1.0 N C:CYS41 4.0 52.3 1.0 C C:PHE40 4.1 50.2 1.0 CD1 C:LEU48 4.1 19.9 1.0 CG C:GLU46 4.2 67.2 1.0 CB C:GLU46 4.5 58.3 1.0 CG1 C:ILE142 4.8 12.6 1.0 C C:CYS41 4.9 46.3 1.0

Mercury binding site 4 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


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 Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range: probe atom residue distance (Å) B Occ D:Hg204 b:44.1 occ:0.50 O D:HOH237 1.8 21.1 1.0 OE2 D:GLU46 2.0 53.9 1.0 SG D:CYS41 2.4 53.1 1.0 CD D:GLU46 3.1 55.9 1.0 ND2 D:ASN145 3.1 65.7 1.0 CB D:CYS41 3.2 37.1 1.0 CA D:CYS41 3.6 35.0 1.0 CD1 D:LEU48 3.9 8.6 1.0 CG D:GLU46 3.9 49.6 1.0 CB D:GLU46 3.9 45.9 1.0 OE1 D:GLU46 3.9 62.2 1.0 N D:CYS41 4.0 38.8 1.0 CG D:ASN145 4.3 70.6 1.0 C D:PHE40 4.4 39.7 1.0 O D:ILE47 4.5 28.8 1.0 O D:PHE40 4.5 32.5 1.0 OD1 D:ASN145 4.7 70.0 1.0 C D:ILE47 4.9 42.3 1.0 C D:CYS41 4.9 33.8 1.0 NH1 D:ARG149 5.0 92.1 1.0 N D:ILE47 5.0 38.7 1.0

C.C.H.Chen, J.F.Parsons, K.Lim, C.Lehmann, A.Tempczyk, E.Eisenstein, O.Herzberg. Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae--A Case of Twinned Crystal To Be Published.