Zinc 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:

Mercury

(Hg)

4 atoms

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae, PDB code: 1joe:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc 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 Zinc with other atoms in the Zn 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:Zn205 b:55.1 occ:1.00 O A:HOH231 1.8 26.2 1.0 NE2 A:HIS54 2.1 34.3 1.0 NE2 A:HIS58 2.4 61.0 1.0 SG A:CYS128 2.5 62.2 1.0 CE1 A:HIS58 2.7 54.0 1.0 CE1 A:HIS54 2.9 30.8 1.0 CD2 A:HIS54 3.2 35.1 1.0 CD2 A:HIS58 3.7 59.1 1.0 CB A:CYS128 3.9 51.8 1.0 ND1 A:HIS58 4.0 49.2 1.0 CA A:CYS128 4.1 53.0 1.0 ND1 A:HIS54 4.1 25.8 1.0 CB B:CYS83 4.2 26.3 1.0 CG A:HIS54 4.3 32.4 1.0 N A:GLY129 4.3 53.0 1.0 CG A:HIS58 4.5 52.8 1.0 NE2 A:HIS134 4.6 46.1 1.0 C A:CYS128 4.6 54.1 1.0 N A:SER130 4.8 52.4 1.0 CE1 A:HIS134 4.8 41.6 1.0 OE2 A:GLU57 4.9 46.3 1.0 O A:GLN127 5.0 67.3 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn206 b:46.6 occ:1.00 SG B:CYS128 2.2 36.4 1.0 O B:HOH236 2.2 27.2 1.0 NE2 B:HIS58 2.6 65.2 1.0 NE2 B:HIS54 2.8 46.6 1.0 CE1 B:HIS58 2.9 63.3 1.0 CE1 B:HIS54 3.6 42.5 1.0 CB B:CYS128 3.6 71.1 1.0 CD2 B:HIS54 3.8 37.7 1.0 CD2 B:HIS58 3.9 57.8 1.0 CB A:CYS83 3.9 28.2 1.0 N B:GLY129 3.9 65.2 1.0 CA B:CYS128 4.0 75.0 1.0 CE1 B:HIS134 4.2 33.6 1.0 ND1 B:HIS58 4.2 55.8 1.0 C B:CYS128 4.3 75.8 1.0 N A:CYS83 4.6 39.5 1.0 NE2 B:HIS134 4.6 30.4 1.0 CA A:CYS83 4.6 34.7 1.0 SG A:CYS83 4.7 41.0 1.0 CG B:HIS58 4.7 50.9 1.0 ND1 B:HIS54 4.7 30.7 1.0 CA B:GLY129 4.8 49.0 1.0 CG B:HIS54 4.9 31.6 1.0 N B:SER130 4.9 32.9 1.0 OE2 B:GLU57 4.9 69.0 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn207 b:40.5 occ:1.00 NE2 C:HIS58 2.2 70.7 1.0 NE2 C:HIS54 2.4 28.7 1.0 SG C:CYS128 2.9 56.6 1.0 CD2 C:HIS58 3.0 66.4 1.0 CD2 C:HIS54 3.2 33.4 1.0 O D:HOH221 3.3 32.0 1.0 CE1 C:HIS58 3.3 67.5 1.0 CE1 C:HIS54 3.4 29.4 1.0 CB D:CYS83 3.9 27.6 1.0 SG D:CYS83 4.1 34.6 1.0 CG C:HIS58 4.2 59.3 1.0 ND1 C:HIS58 4.3 63.3 1.0 N D:CYS83 4.4 43.9 1.0 OE2 C:GLU57 4.4 65.6 1.0 CB C:CYS128 4.4 67.2 1.0 CG C:HIS54 4.4 29.7 1.0 ND1 C:HIS54 4.5 24.4 1.0 CA D:CYS83 4.6 32.0 1.0 NE2 C:HIS134 4.7 83.8 1.0 O C:HOH223 4.7 52.4 1.0 CA C:CYS128 4.8 62.5 1.0 CE1 C:HIS134 4.9 84.0 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn208 b:48.1 occ:1.00 NE2 D:HIS54 2.5 35.6 1.0 NE2 D:HIS58 2.6 41.6 1.0 SG D:CYS128 3.1 40.1 1.0 CE1 D:HIS58 3.4 47.4 1.0 CD2 D:HIS54 3.5 31.0 1.0 CE1 D:HIS54 3.5 33.1 1.0 CD2 D:HIS58 3.7 45.4 1.0 CB C:CYS83 3.9 52.5 1.0 N C:CYS83 4.2 34.5 1.0 CE1 D:HIS134 4.4 39.0 1.0 SG C:CYS83 4.4 45.5 1.0 CA C:CYS83 4.5 45.5 1.0 CB D:CYS128 4.5 46.6 1.0 N D:GLY129 4.6 49.1 1.0 ND1 D:HIS54 4.6 31.7 1.0 CG D:HIS54 4.6 35.9 1.0 ND1 D:HIS58 4.6 49.0 1.0 CA D:CYS128 4.7 45.4 1.0 OE2 D:GLU57 4.8 40.5 1.0 CG D:HIS58 4.8 46.1 1.0 C C:GLY82 5.0 33.1 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.