Chlorine in PDB 1kc8: Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit

The structure of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit, PDB code: 1kc8 was solved by J.L.Hansen, N.Ban, P.Nissen, P.B.Moore, T.A.Steitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 3.01
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	212.902, 300.474, 575.176, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.5

The structure of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit also contains other interesting chemical elements:

Magnesium	(Mg)	117 atoms
Potassium	(K)	3 atoms
Cadmium	(Cd)	5 atoms
Sodium	(Na)	86 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit (pdb code 1kc8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit, PDB code: 1kc8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8503 b:49.7 occ:1.00 N2 A:G1676 2.9 32.4 1.0 O A:HOH5815 3.1 56.8 1.0 O A:HOH9422 3.3 23.1 1.0 C1' A:G1452 3.4 41.1 1.0 O2' A:G1452 3.8 41.9 1.0 O A:HOH3567 3.8 60.7 1.0 C2 A:G1676 3.9 31.3 1.0 CE 3:LYS2 4.0 31.1 1.0 C2 A:A1486 4.0 28.4 1.0 O4' A:G1452 4.1 40.8 1.0 N3 A:A1486 4.1 29.5 1.0 N3 A:G1676 4.1 31.6 1.0 C2' A:G1452 4.2 40.3 1.0 O2 A:C1451 4.2 36.2 1.0 N9 A:G1452 4.3 41.2 1.0 N3 A:G1452 4.3 40.6 1.0 O A:HOH7582 4.3 46.4 1.0 O A:HOH4708 4.4 75.5 1.0 C4 A:G1452 4.6 40.8 1.0 O A:HOH6784 4.8 69.0 1.0 CD 3:LYS2 4.9 28.7 1.0 NZ 3:LYS2 4.9 32.5 1.0

Chlorine binding site 2 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8505 b:52.3 occ:1.00 O A:HOH4908 2.5 50.1 1.0 N2 A:G201 2.9 48.0 1.0 O A:HOH3180 3.1 38.0 1.0 O A:HOH4540 3.5 38.6 1.0 C5' A:G229 3.6 42.4 1.0 C5 A:C197 3.9 53.7 1.0 C1' A:U202 4.0 41.5 1.0 C2 A:G201 4.0 47.4 1.0 C4' A:G229 4.1 41.9 1.0 O4' A:U202 4.1 43.4 1.0 O2 A:C195 4.2 33.5 1.0 O A:HOH9744 4.2 30.0 1.0 N3 A:G201 4.3 47.5 1.0 O2 A:U202 4.4 43.2 1.0 O3' A:G229 4.5 42.9 1.0 C6 A:C197 4.5 53.3 1.0 N1 A:A199 4.6 55.4 1.0 N1 A:U202 4.6 41.7 1.0 C2 A:U202 4.7 42.1 1.0 OP1 A:G229 4.7 42.0 1.0 O2' A:U202 4.8 40.4 1.0 C2 A:A199 4.8 55.8 1.0 O5' A:G229 4.8 41.7 1.0 C3' A:G229 4.9 42.0 1.0 C4 A:C197 5.0 53.7 1.0

Chlorine binding site 3 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8511 b:48.9 occ:1.00 O A:HOH3159 3.0 17.9 1.0 N R:HIS53 3.3 35.1 1.0 O2' A:C2388 3.3 26.3 1.0 CE2 R:PHE56 3.6 27.3 1.0 CB R:PHE52 3.7 36.4 1.0 CD2 R:PHE56 3.8 28.1 1.0 C4' A:C2388 3.8 29.8 1.0 CA R:PHE52 3.9 36.8 1.0 O4' A:C2388 3.9 30.9 1.0 CG2 R:ILE84 3.9 34.8 1.0 CB R:HIS53 4.0 35.2 1.0 C R:PHE52 4.1 36.7 1.0 C1' A:C2388 4.1 31.1 1.0 C2' A:C2388 4.2 29.4 1.0 CA R:HIS53 4.3 34.0 1.0 O R:HOH3082 4.4 37.6 1.0 CG1 R:ILE84 4.4 35.5 1.0 C3' A:C2388 4.5 29.9 1.0 CB R:ILE84 4.6 35.9 1.0 CD1 R:ILE84 4.6 36.9 1.0 O A:HOH3587 4.7 69.1 1.0 C5' A:C2388 4.8 29.7 1.0 O3' A:C2388 4.8 29.9 1.0 CA R:ILE84 4.8 35.2 1.0 CZ R:PHE56 4.9 26.8 1.0 CG R:PHE52 4.9 36.7 1.0

Chlorine binding site 4 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8512 b:33.3 occ:1.00 NZ L:LYS14 3.1 28.8 1.0 O A:HOH5103 3.1 41.3 1.0 N2 A:G2582 3.2 31.6 1.0 O A:HOH7593 3.4 36.9 1.0 C2 A:A2596 3.4 39.3 1.0 OG L:SER33 3.7 37.0 1.0 N3 A:A2596 3.7 39.5 1.0 CG L:PRO45 3.7 32.8 1.0 O L:ILE32 3.8 34.9 1.0 CD L:LYS14 3.9 30.5 1.0 CE L:LYS14 3.9 29.2 1.0 CB L:PRO45 4.1 33.5 1.0 CB L:SER33 4.1 37.0 1.0 N3 A:A2583 4.3 30.6 1.0 CA L:SER33 4.3 36.2 1.0 C1' A:U2597 4.3 40.5 1.0 N1 A:A2596 4.5 39.3 1.0 C2 A:G2582 4.5 31.3 1.0 C1' A:A2583 4.5 29.1 1.0 O2 A:U2597 4.6 40.0 1.0 CG L:LYS14 4.7 30.4 1.0 O L:HOH7169 4.7 0.9 1.0 CD L:PRO45 4.8 33.8 1.0 C4 A:A2583 4.8 30.7 1.0 O2' A:U2597 4.8 41.8 1.0 C L:ILE32 4.9 34.3 1.0 C2 A:A2583 4.9 31.5 1.0 N9 A:A2583 4.9 30.6 1.0 N1 A:G2582 5.0 32.5 1.0 N1 A:U2597 5.0 40.1 1.0

Chlorine binding site 5 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8513 b:48.0 occ:1.00 O A:HOH4659 2.8 92.2 1.0 N1 A:A1329 3.1 22.6 1.0 O A:HOH4952 3.2 48.9 1.0 N2 A:G1299 3.5 19.7 1.0 O2' A:G1300 3.6 25.4 1.0 C2 A:A1329 3.7 21.5 1.0 N6 A:A1328 3.7 22.0 1.0 O A:HOH3642 3.8 35.5 1.0 C1' A:G1300 3.8 27.9 1.0 O4' A:G1300 3.9 29.4 1.0 O Z:HOH8536 4.0 24.9 1.0 C6 A:A1329 4.2 23.1 1.0 N1 A:A1330 4.3 27.9 1.0 N3 A:G1299 4.3 23.1 1.0 C2' A:G1300 4.3 27.3 1.0 C2 A:G1299 4.4 21.5 1.0 N6 A:A1329 4.4 25.5 1.0 C4' A:G1300 4.5 29.2 1.0 C2 A:A1330 4.6 28.0 1.0 O A:HOH4828 4.9 53.5 1.0 N9 A:G1300 5.0 28.6 1.0

Chlorine binding site 6 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8514 b:44.8 occ:1.00 ND1 M:HIS13 2.8 25.7 1.0 O2' A:G644 3.0 25.3 1.0 O A:HOH7724 3.1 40.7 1.0 C2' A:G644 3.6 23.2 1.0 CE1 M:HIS13 3.7 25.7 1.0 CG M:HIS13 3.7 26.0 1.0 N9 A:G644 3.8 22.7 1.0 C4 A:G644 3.8 22.0 1.0 CG M:GLN7 3.9 28.2 1.0 CB M:HIS13 3.9 26.1 1.0 C1' A:G644 4.1 23.9 1.0 C8 A:G644 4.1 24.2 1.0 N3 A:G644 4.1 23.8 1.0 C5 A:G644 4.2 22.8 1.0 CB M:GLN7 4.3 24.7 1.0 CG M:LYS4 4.4 26.7 1.0 N7 A:G644 4.4 23.2 1.0 C2 A:G644 4.7 23.9 1.0 NE2 M:HIS13 4.8 24.6 1.0 CD M:GLN7 4.9 30.5 1.0 CD2 M:HIS13 4.9 25.0 1.0 C6 A:G644 4.9 23.4 1.0 CA M:LYS4 4.9 27.0 1.0 O A:HOH3179 4.9 59.6 1.0 O M:HIS13 4.9 28.5 1.0

Chlorine binding site 7 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8515 b:66.9 occ:1.00 N6 A:A1598 3.3 44.4 1.0 N2 A:G1646 3.4 48.5 1.0 N6 A:A1597 3.5 41.2 1.0 O A:HOH6780 3.5 67.3 1.0 N7 A:A1597 4.0 41.5 1.0 C1' A:G1647 4.2 48.1 1.0 C6 A:A1598 4.2 42.6 1.0 C1' A:G1540 4.3 46.0 1.0 O4' A:G1647 4.3 46.7 1.0 C2 A:G1646 4.4 49.3 1.0 C6 A:A1597 4.4 40.8 1.0 N3 A:G1646 4.5 49.4 1.0 C5 A:A1597 4.6 41.2 1.0 N3 A:G1540 4.7 47.7 1.0 O2' A:U1596 4.7 54.2 1.0 O4' A:G1540 4.7 45.0 1.0 O2' A:G1540 4.8 46.6 1.0 N9 A:G1540 4.9 46.8 1.0 C5 A:A1598 4.9 41.6 1.0 N9 A:G1647 4.9 48.5 1.0 N1 A:A1598 5.0 43.4 1.0

Chlorine binding site 8 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8517 b:54.2 occ:1.00 O Z:HOH8556 2.9 86.9 1.0 O2' A:C594 3.0 40.3 1.0 O Z:HOH8538 3.3 43.5 1.0 CG Z:ARG115 3.4 33.9 1.0 O4' A:U595 3.5 47.2 1.0 O Z:HOH8594 3.6 31.8 1.0 CD Z:ARG115 3.6 33.0 1.0 NE Z:ARG115 3.7 33.3 1.0 C4' A:U595 3.7 44.3 1.0 C5' A:U595 3.9 40.6 1.0 C2' A:C594 4.0 40.9 1.0 NH2 Z:ARG122 4.0 41.9 1.0 O A:HOH6279 4.4 72.6 1.0 O A:HOH6526 4.4 54.0 1.0 O2 A:C594 4.4 50.8 1.0 C1' A:U595 4.7 47.4 1.0 CZ Z:ARG115 4.8 33.8 1.0 CB Z:ARG115 4.8 35.5 1.0 C1' A:C594 4.8 43.0 1.0 O Z:HOH8559 4.9 36.9 1.0 O Z:ARG115 5.0 34.9 1.0 O5' A:U595 5.0 38.0 1.0

Chlorine binding site 9 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8522 b:69.4 occ:1.00 N1 A:G1072 2.9 20.8 1.0 O A:HOH5335 3.2 28.8 1.0 N2 A:G1072 3.3 18.6 1.0 N7 A:A1291 3.4 29.6 1.0 C2 A:G1072 3.6 20.0 1.0 O2' A:G1087 3.6 28.8 1.0 C8 A:G1087 3.6 26.3 1.0 C5 A:A1291 3.8 29.6 1.0 C6 A:G1072 3.9 22.9 1.0 O6 A:G1072 3.9 24.8 1.0 N6 A:A1291 3.9 31.4 1.0 N7 A:G1087 3.9 26.1 1.0 C2' A:G1087 4.0 28.3 1.0 N9 A:G1087 4.0 26.1 1.0 C6 A:A1291 4.0 30.1 1.0 C8 A:A1291 4.1 28.7 1.0 O A:HOH9148 4.1 32.5 1.0 OE2 X:GLU10 4.5 42.5 1.0 C1' A:G1087 4.5 28.1 1.0 C5 A:G1087 4.5 26.9 1.0 C4 A:A1291 4.6 29.1 1.0 C4 A:G1087 4.6 26.0 1.0 N9 A:A1291 4.7 28.2 1.0 O A:HOH4031 4.8 26.4 1.0 N3 A:G1072 4.9 21.2 1.0 N1 A:A1291 5.0 29.3 1.0

Chlorine binding site 10 out of 22 in the Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Co-Crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl8509 b:86.6 occ:1.00 NZ C:LYS178 3.2 39.0 1.0 O A:HOH6395 3.5 44.4 1.0 CE C:LYS175 3.7 29.1 1.0 CD C:LYS178 3.7 37.4 1.0 CE C:LYS178 3.8 38.7 1.0 O A:HOH5233 4.0 47.6 1.0 CZ C:PHE169 4.1 32.5 1.0 CD C:LYS175 4.3 26.7 1.0 O C:HOH8579 4.3 44.1 1.0 CE1 C:PHE169 4.4 34.8 1.0 SD C:MET179 4.4 36.2 1.0 CE C:MET179 4.6 38.4 1.0 OP2 A:G1878 4.6 39.5 1.0 O A:HOH3044 4.9 21.2 1.0 CG C:LYS178 4.9 35.4 1.0 NZ C:LYS175 5.0 31.0 1.0

J.Hansen, P.B.Moore, T.A.Steitz. Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit J.Mol.Biol. V. 330 1061 2003.
ISSN: ISSN 0022-2836
PubMed: 12860128
DOI: 10.1016/S0022-2836(03)00668-5