Chlorine in PDB 6p1j: The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module

The structure of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module, PDB code: 6p1j was solved by K.Tan, M.Zhou, R.Jedrzejczak, G.Babnigg, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.20 / 2.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	110.857, 399.875, 144.116, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module (pdb code 6p1j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module, PDB code: 6p1j:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1104 b:69.1 occ:1.00 O A:ALA938 3.8 73.7 1.0 CG2 A:VAL939 4.0 69.6 1.0 CD2 A:LEU1000 4.5 94.8 1.0 OE1 A:GLU926 4.7 78.2 1.0 CG A:PRO781 4.9 62.7 1.0 NE1 A:TRP992 4.9 90.2 1.0 C A:ALA938 4.9 68.8 1.0

Chlorine binding site 2 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1105 b:76.9 occ:1.00 NH1 A:ARG491 3.5 82.0 1.0 NH2 A:ARG491 4.0 85.5 1.0 CB A:GLU488 4.1 68.6 1.0 N A:GLU488 4.2 81.8 1.0 CZ A:ARG491 4.2 83.8 1.0 CB A:ALA487 4.2 68.1 1.0 OE2 A:GLU454 4.4 0.6 1.0 CA A:GLU488 4.4 69.6 1.0 CD A:ARG458 4.7 92.2 1.0 CG A:ARG458 4.8 79.6 1.0 C A:ALA487 4.8 79.3 1.0 CG A:GLU488 4.9 57.3 1.0

Chlorine binding site 3 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1106 b:99.7 occ:1.00 OB2 A:FLC1102 3.1 67.1 1.0 OD1 A:ASP945 4.1 0.7 1.0 CBC A:FLC1102 4.2 69.6 1.0 CD A:ARG951 4.3 73.3 1.0 OHB A:FLC1102 4.3 75.3 1.0 CB A:ARG943 4.3 74.1 1.0 OD2 A:ASP945 4.4 0.6 1.0 CG A:ARG943 4.4 77.0 1.0 NE A:ARG951 4.4 73.2 1.0 CG2 A:VAL953 4.7 75.5 1.0 CG A:ASP945 4.7 0.2 1.0 CB A:FLC1102 4.9 71.3 1.0 CD A:ARG943 4.9 83.3 1.0

Chlorine binding site 4 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1107 b:83.8 occ:1.00 NZ A:LYS999 3.6 66.8 1.0 CE1 A:PHE705 3.7 61.2 1.0 CZ A:PHE705 3.9 61.3 1.0 O A:GLY802 4.0 73.1 1.0 C3 A:GOL1114 4.3 64.8 1.0 CA A:GLY777 4.4 97.2 1.0 O2 A:GOL1114 4.6 95.1 1.0 OD1 A:ASP706 4.6 72.2 1.0 CE A:LYS999 4.7 61.9 1.0 OG1 A:THR804 4.8 49.3 1.0 CA A:PRO803 4.8 64.8 1.0 N A:GLY777 4.9 0.1 1.0 CD1 A:PHE705 4.9 53.5 1.0

Chlorine binding site 5 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1108 b:0.1 occ:1.00 O A:THR338 3.0 36.4 1.0 CD2 A:LEU339 3.5 41.2 1.0 CG2 A:VAL376 3.6 36.6 1.0 CD1 A:PHE373 3.7 62.0 1.0 CE2 A:TRP240 3.9 45.5 1.0 CZ2 A:TRP240 4.0 48.3 1.0 CA A:LEU339 4.0 40.0 1.0 C A:THR338 4.1 40.8 1.0 NE1 A:TRP240 4.1 39.6 1.0 CA A:PHE373 4.2 60.9 1.0 O A:LEU371 4.3 48.2 1.0 CB A:PHE373 4.3 54.7 1.0 CB A:VAL376 4.3 56.0 1.0 CD2 A:TRP240 4.4 45.5 1.0 CH2 A:TRP240 4.5 47.9 1.0 N A:ALA340 4.5 43.1 1.0 N A:LEU339 4.5 39.8 1.0 CG A:PHE373 4.5 57.0 1.0 CG1 A:VAL376 4.6 47.2 1.0 CE1 A:PHE373 4.6 49.2 1.0 ND2 A:ASN337 4.6 46.9 1.0 CG A:LEU339 4.7 34.1 1.0 N A:PHE373 4.7 69.3 1.0 CD1 A:TRP240 4.7 50.2 1.0 CB A:LEU339 4.8 35.2 1.0 C A:LEU339 4.8 43.9 1.0 CG A:TRP240 4.9 46.1 1.0 CE3 A:TRP240 4.9 45.2 1.0 CZ3 A:TRP240 4.9 43.9 1.0

Chlorine binding site 6 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1109 b:53.6 occ:1.00 O A:GLN242 3.6 52.1 1.0 CG A:GLN242 4.7 61.2 1.0 C A:GLN242 4.7 45.8 1.0 NE2 A:GLN242 4.7 59.4 1.0 O A:ALA245 4.9 47.4 1.0

Chlorine binding site 7 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1106 b:77.9 occ:1.00 NE2 B:HIS175 3.5 70.7 1.0 O B:ALA65 3.7 0.8 1.0 N B:PHE148 3.8 78.8 1.0 NE2 B:HIS71 3.9 57.0 1.0 CD2 B:HIS175 3.9 69.3 1.0 CB B:PRO147 4.0 80.1 1.0 O B:PHE148 4.0 60.7 1.0 CA B:PRO147 4.2 84.8 1.0 CD1 B:LEU150 4.5 50.1 1.0 C B:PRO147 4.5 75.8 1.0 CA B:PHE148 4.6 66.9 1.0 CE1 B:HIS175 4.6 73.3 1.0 C B:PHE148 4.7 62.5 1.0 C B:ALA65 4.7 0.1 1.0 CE1 B:HIS71 4.7 57.5 1.0 CB B:PHE148 4.8 63.9 1.0 CD2 B:HIS71 4.9 58.3 1.0

Chlorine binding site 8 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1107 b:75.9 occ:1.00 CE2 B:TRP240 3.5 43.6 1.0 CZ2 B:TRP240 3.5 44.7 1.0 CD1 B:PHE373 3.6 49.2 1.0 CD2 B:TRP240 3.7 45.6 1.0 CH2 B:TRP240 3.7 53.3 1.0 O B:THR338 3.7 46.4 1.0 CG2 B:VAL376 3.7 36.1 1.0 N B:ALA340 3.7 46.6 1.0 CZ3 B:TRP240 3.8 47.9 1.0 CE3 B:TRP240 3.9 41.5 1.0 CA B:LEU339 3.9 50.8 1.0 CG1 B:VAL376 4.0 35.6 1.0 CD2 B:LEU339 4.0 37.2 1.0 NE1 B:TRP240 4.1 39.7 1.0 CE1 B:PHE373 4.2 45.9 1.0 CB B:VAL376 4.2 37.9 1.0 C B:LEU339 4.3 49.5 1.0 CG B:TRP240 4.4 42.4 1.0 CD1 B:TRP240 4.6 47.2 1.0 CB B:ALA340 4.6 32.4 1.0 C B:THR338 4.6 53.6 1.0 CG B:PHE373 4.7 44.1 1.0 N B:LEU339 4.7 55.2 1.0 CA B:ALA340 4.7 39.6 1.0 CB B:LEU339 4.8 38.0 1.0 CA B:PHE373 4.8 50.7 1.0 CB B:PHE373 4.9 39.6 1.0

Chlorine binding site 9 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1108 b:91.8 occ:1.00 CZ B:TYR591 3.7 77.9 1.0 CE2 B:TYR591 3.7 84.3 1.0 OH B:TYR591 4.0 85.9 1.0 O B:THR661 4.0 86.5 1.0 SD B:MET599 4.2 66.2 1.0 CE1 B:TYR591 4.2 72.5 1.0 CD2 B:TYR591 4.2 79.9 1.0 NE B:ARG595 4.2 93.0 1.0 CE B:MET599 4.5 66.7 1.0 CD1 B:TYR591 4.6 62.6 1.0 CG B:TYR591 4.7 66.4 1.0 O B:TYR660 4.8 71.2 1.0 CD B:ARG595 4.8 78.7 1.0 CG B:ARG595 4.9 64.6 1.0 C B:THR661 5.0 89.0 1.0

Chlorine binding site 10 out of 19 in the The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Structure of Condensation and Adenylation Domains of Teixobactin- Producing Nonribosomal Peptide Synthetase TXO2 Serine Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1109 b:64.7 occ:1.00 NH2 B:ARG559 3.5 72.9 1.0 CD1 B:LEU865 3.7 68.9 1.0 SD B:MET672 4.3 63.2 1.0 CZ B:ARG559 4.4 60.0 1.0 NH2 B:ARG862 4.6 87.9 1.0 NH1 B:ARG559 4.8 57.7 1.0

K.Tan, M.Zhou, R.Jedrzejczak, G.Babnigg, A.Joachimiak. The Structure of Condensation and Adenylation Domains of Teixobactin-Producing Nonribosomal Peptide Synthetase TXO2 Serine Module To Be Published.