Rhenium in PDB 1k4j: Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate

The structure of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate, PDB code: 1k4j was solved by W.T.Watson, T.D.Minogue, D.L.Val, S.Beck Von Bodman, M.E.A.Churchill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	66.390, 66.390, 47.325, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27.5

The binding sites of Rhenium atom in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate (pdb code 1k4j). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 7 binding sites of Rhenium where determined in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate, PDB code: 1k4j:
Jump to Rhenium binding site number: 1; 2; 3; 4; 5; 6; 7;

Rhenium binding site 1 out of 7 in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate within 5.0Å range: probe atom residue distance (Å) B Occ A:Re401 b:79.6 occ:0.33 RE A:REO401 0.0 79.6 0.3 O14 A:REO401 1.7 78.5 0.3 O15 A:REO401 1.7 77.8 0.3 O12 A:REO401 1.7 78.8 0.3 O13 A:REO401 1.7 77.7 0.3 CB A:SER119 3.6 43.9 1.0 CA A:PRO117 3.8 51.3 1.0 CB A:PRO117 3.9 49.8 1.0 OG A:SER119 4.1 55.5 1.0 N A:GLN120 4.3 44.7 1.0 C A:PRO117 4.4 51.1 1.0 N A:SER119 4.4 44.6 1.0 CA A:SER119 4.5 44.6 1.0 CG A:GLN120 4.6 51.2 1.0 O A:PRO117 4.7 54.3 1.0 C A:SER119 4.9 45.3 1.0 CB A:GLN120 5.0 45.4 1.0 N A:ILE118 5.0 47.4 1.0

Rhenium binding site 2 out of 7 in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate within 5.0Å range: probe atom residue distance (Å) B Occ A:Re402 b:54.0 occ:0.35 RE A:REO402 0.0 54.0 0.3 O13 A:REO402 1.7 57.5 0.3 O14 A:REO402 1.7 51.2 0.3 O15 A:REO402 1.7 49.2 0.3 O12 A:REO402 1.7 53.7 0.3 N A:PHE164 4.0 57.9 1.0 CB A:ALA163 4.1 48.9 1.0 CA A:ALA163 4.4 52.8 1.0 O A:PHE164 4.6 72.1 1.0 O A:CYS85 4.6 56.9 1.0 C A:ALA163 4.7 51.7 1.0 CA A:CYS85 4.7 59.1 1.0 CE A:LYS161 4.8 57.1 1.0 NZ A:LYS161 4.8 62.4 1.0 CA A:PHE164 4.9 64.4 1.0

Rhenium binding site 3 out of 7 in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 3 of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate within 5.0Å range: probe atom residue distance (Å) B Occ A:Re403 b:53.3 occ:0.32 RE A:REO403 0.0 53.3 0.3 O15 A:REO403 1.7 48.4 0.3 O12 A:REO403 1.7 44.0 0.3 O14 A:REO403 1.7 43.8 0.3 O13 A:REO403 1.7 47.0 0.3 CE A:MET146 3.9 55.7 1.0 CG A:MET146 4.0 43.5 1.0 CB A:MET146 4.0 39.8 1.0 O13 A:REO407 4.1 62.2 0.1 CB A:PHE101 4.5 33.5 1.0 N A:SER143 4.5 39.4 1.0 SD A:MET146 4.5 57.2 1.0 CA A:VAL142 4.6 38.2 1.0 O14 A:REO407 4.8 61.4 0.1 OG A:SER143 4.8 40.3 1.0 O A:ILE141 4.8 34.5 1.0 CB A:VAL142 4.8 36.7 1.0 O A:PHE101 4.9 31.6 1.0 CG1 A:VAL142 5.0 33.2 1.0

Rhenium binding site 4 out of 7 in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 4 of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate within 5.0Å range: probe atom residue distance (Å) B Occ A:Re404 b:55.4 occ:0.24 RE A:REO404 0.0 55.4 0.2 O13 A:REO404 1.7 47.3 0.2 O15 A:REO404 1.7 48.5 0.2 O12 A:REO404 1.7 48.4 0.2 O14 A:REO404 1.7 49.8 0.2 CD1 A:ILE149 3.7 52.8 1.0 CB A:SER119 4.1 43.9 1.0 OG A:SER119 4.2 55.5 1.0 CB A:VAL103 4.7 46.2 1.0 O12 A:REO401 4.8 78.8 0.3 CE2 A:PHE101 4.8 43.1 1.0 CG2 A:ILE149 4.8 46.9 1.0 CG2 A:VAL103 4.9 51.7 1.0 CG1 A:VAL103 5.0 46.5 1.0 CG1 A:ILE149 5.0 52.0 1.0

Rhenium binding site 5 out of 7 in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 5 of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate within 5.0Å range: probe atom residue distance (Å) B Occ A:Re405 b:66.7 occ:0.22 RE A:REO405 0.0 66.7 0.2 O12 A:REO405 1.7 64.0 0.2 O14 A:REO405 1.7 63.6 0.2 O13 A:REO405 1.7 62.5 0.2 O15 A:REO405 1.7 60.6 0.2 O A:ARG193 3.7 72.9 1.0 O A:HIS115 4.3 64.5 1.0 CA A:TYR116 4.5 56.7 1.0 CA A:THR194 4.5 68.8 1.0 C A:HIS115 4.6 66.4 1.0 N A:TYR116 4.6 60.1 1.0 C A:ARG193 4.7 71.5 1.0 CD1 A:TYR116 4.8 65.0 1.0 CD A:PRO117 4.8 48.5 1.0 CG2 A:THR194 4.9 69.7 1.0 O A:GLU114 5.0 73.6 1.0 CB A:HIS115 5.0 74.2 1.0

Rhenium binding site 6 out of 7 in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 6 of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate within 5.0Å range: probe atom residue distance (Å) B Occ A:Re406 b:51.0 occ:0.15 RE A:REO406 0.0 51.0 0.1 O13 A:REO406 1.7 50.4 0.1 O12 A:REO406 1.7 49.4 0.1 O15 A:REO406 1.7 51.9 0.1 O14 A:REO406 1.7 48.5 0.1 OG A:SER71 3.4 55.2 1.0 OH A:TYR135 3.7 38.9 1.0 N A:SER71 3.8 32.6 1.0 O A:GLY51 3.9 60.9 1.0 OG1 A:THR96 3.9 41.5 1.0 C A:THR70 4.0 31.1 1.0 O A:PHE69 4.2 37.1 1.0 CA A:SER71 4.3 39.8 1.0 C A:PHE69 4.3 34.1 1.0 CA A:THR70 4.3 32.2 1.0 N A:THR70 4.4 34.4 1.0 CB A:PHE69 4.5 27.7 1.0 CB A:SER71 4.5 40.4 1.0 CH2 A:TRP129 4.5 30.7 1.0 O A:THR70 4.6 31.9 1.0 CZ A:TYR135 4.6 32.2 1.0 CB A:THR96 4.7 40.1 1.0 CG A:ARG53 4.7 50.6 1.0 CE1 A:TYR135 4.8 26.6 1.0 CZ2 A:TRP129 4.8 33.7 1.0 CB A:ARG53 5.0 41.5 1.0

Rhenium binding site 7 out of 7 in the Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 7 of Crystal Structure of the Acyl-Homoserinelactone Synthase Esai Complexed with Rhenate within 5.0Å range: probe atom residue distance (Å) B Occ A:Re407 b:63.4 occ:0.15 RE A:REO407 0.0 63.4 0.1 O14 A:REO407 1.7 61.4 0.1 O15 A:REO407 1.7 60.4 0.1 O13 A:REO407 1.7 62.2 0.1 O12 A:REO407 1.7 60.6 0.1 O12 A:REO403 4.3 44.0 0.3 O14 A:REO403 4.4 43.8 0.3 O A:ILE141 4.5 34.5 1.0 N A:SER143 4.7 39.4 1.0 C A:VAL142 4.7 36.5 1.0 O A:HOH520 4.7 57.2 1.0 CG2 A:ILE171 4.7 30.9 1.0 CG2 A:ILE141 4.7 28.8 1.0 CE1 A:PHE82 4.8 44.6 1.0 CZ A:PHE82 4.9 50.8 1.0 CB A:SER143 4.9 39.0 1.0 O A:VAL142 5.0 38.0 1.0 CA A:VAL142 5.0 38.2 1.0

W.T.Watson, T.D.Minogue, D.L.Val, S.B.Von Bodman, M.E.Churchill. Structural Basis and Specificity of Acyl-Homoserine Lactone Signal Production in Bacterial Quorum Sensing. Mol.Cell V. 9 685 2002.
ISSN: ISSN 1097-2765
PubMed: 11931774
DOI: 10.1016/S1097-2765(02)00480-X