Chlorine in PDB 1yjn: Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui

The structure of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui, PDB code: 1yjn was solved by D.Tu, G.Blaha, 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)	29.97 / 3.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	212.512, 300.125, 573.849, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.8

The structure of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui also contains other interesting chemical elements:

Magnesium	(Mg)	116 atoms
Potassium	(K)	2 atoms
Cadmium	(Cd)	5 atoms
Sodium	(Na)	86 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui (pdb code 1yjn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui, PDB code: 1yjn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl9000 b:51.2 occ:1.00 CL1 0:CLY9000 0.0 51.2 1.0 C8 0:CLY9000 1.8 52.8 1.0 C9 0:CLY9000 2.7 50.6 1.0 C7 0:CLY9000 2.8 54.6 1.0 O2' 0:G2540 3.1 40.0 1.0 C4 0:CLY9000 3.2 55.8 1.0 N1 0:CLY9000 3.2 57.5 1.0 C1' 0:G2540 3.4 37.4 1.0 N3 0:G2540 3.5 39.4 1.0 C6 0:CLY9000 3.5 54.8 1.0 O5 0:CLY9000 3.6 58.7 1.0 C2' 0:G2540 3.7 38.1 1.0 O 0:HOH7406 4.1 50.9 1.0 N9 0:G2540 4.2 36.7 1.0 C4 0:G2540 4.2 37.3 1.0 S1 0:CLY9000 4.2 56.5 1.0 O4' 0:G2540 4.3 38.1 1.0 C2 0:G2540 4.5 40.0 1.0 C10 0:CLY9000 4.5 59.0 1.0 C5 0:CLY9000 4.6 56.8 1.0 N2 0:G2540 4.6 40.8 1.0 C3 0:CLY9000 4.6 54.3 1.0 C12 0:CLY9000 4.8 60.5 1.0 O 0:HOH5267 5.0 54.1 1.0

Chlorine binding site 2 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8803 b:75.7 occ:1.00 N2 0:G1676 3.4 45.8 1.0 O 0:HOH9426 3.5 65.0 1.0 O 0:HOH4733 3.8 71.4 1.0 C1' 0:G1452 3.8 51.9 1.0 O2' 0:G1452 3.8 53.0 1.0 O 0:HOH3576 3.9 55.0 1.0 CE 2:LYS2 4.0 46.4 1.0 N3 0:A1486 4.2 43.2 1.0 C2 0:A1486 4.3 43.2 1.0 O 0:HOH7567 4.3 69.3 1.0 O4' 0:G1452 4.4 52.5 1.0 C2' 0:G1452 4.4 51.2 1.0 C2 0:G1676 4.4 45.3 1.0 O 0:HOH5831 4.5 40.3 1.0 CD 2:LYS2 4.6 44.8 1.0 N3 0:G1676 4.6 45.5 1.0 O2 0:C1451 4.7 58.7 1.0 N9 0:G1452 4.7 52.1 1.0 N3 0:G1452 4.7 54.0 1.0 O 0:HOH6786 4.8 23.9 1.0

Chlorine binding site 3 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8805 b:61.0 occ:1.00 N2 0:G201 2.9 46.3 1.0 O 0:HOH4928 3.0 42.5 1.0 O 0:HOH4562 3.6 59.0 1.0 C5 0:C197 3.6 51.4 1.0 O 0:HOH3190 3.7 47.2 1.0 C5' 0:G229 3.9 52.2 1.0 C1' 0:U202 3.9 51.5 1.0 C2 0:G201 4.0 47.3 1.0 O4' 0:U202 4.0 53.4 1.0 N3 0:G201 4.1 48.8 1.0 C6 0:C197 4.3 50.6 1.0 C4' 0:G229 4.3 50.1 1.0 O3' 0:G229 4.4 49.1 1.0 O2' 0:U202 4.5 52.0 1.0 N1 0:A199 4.6 61.4 1.0 O2 0:C195 4.6 38.2 1.0 N1 0:U202 4.6 51.1 1.0 C4 0:C197 4.7 51.3 1.0 O2 0:U202 4.8 53.0 1.0 C2 0:A199 4.8 62.6 1.0 O 0:HOH9753 4.8 45.7 1.0 N4 0:C197 4.8 51.6 1.0 C2' 0:U202 4.9 52.0 1.0 C2 0:U202 5.0 51.8 1.0 C3' 0:G229 5.0 49.3 1.0

Chlorine binding site 4 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8811 b:63.2 occ:1.00 N Q:HIS53 2.9 43.3 1.0 O2' 0:C2388 3.2 38.1 1.0 O 0:HOH3170 3.2 23.2 1.0 CB Q:PHE52 3.6 44.1 1.0 CE2 Q:PHE56 3.6 33.5 1.0 CB Q:HIS53 3.7 40.8 1.0 CA Q:PHE52 3.7 45.8 1.0 C Q:PHE52 3.8 44.9 1.0 CD2 Q:PHE56 3.8 34.0 1.0 CA Q:HIS53 3.9 41.0 1.0 C4' 0:C2388 3.9 38.1 1.0 O4' 0:C2388 4.0 38.7 1.0 C1' 0:C2388 4.1 38.5 1.0 C2' 0:C2388 4.2 38.1 1.0 O 0:HOH4414 4.3 48.4 1.0 CG2 Q:ILE84 4.3 39.3 1.0 O 0:HOH3594 4.4 42.7 1.0 CG1 Q:ILE84 4.4 41.6 1.0 C3' 0:C2388 4.6 38.3 1.0 CD1 Q:ILE84 4.8 44.0 1.0 CG Q:PHE52 4.8 43.9 1.0 O3' 0:C2388 4.8 40.1 1.0 O Q:HIS53 4.8 40.2 1.0 CB Q:ILE84 4.9 41.0 1.0 C Q:HIS53 4.9 40.6 1.0 CZ Q:PHE56 4.9 31.9 1.0 O Q:PHE52 5.0 44.9 1.0

Chlorine binding site 5 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8812 b:51.0 occ:1.00 O 0:HOH5115 2.6 49.7 1.0 NZ K:LYS14 2.9 40.9 1.0 C2 0:A2596 3.3 50.2 1.0 N2 0:G2582 3.4 49.0 1.0 O K:HOH7499 3.5 55.3 1.0 N3 0:A2596 3.5 50.4 1.0 OG K:SER33 3.5 48.7 1.0 O K:ILE32 3.5 44.3 1.0 CE K:LYS14 3.8 39.4 1.0 CD K:LYS14 3.8 39.5 1.0 CG K:PRO45 4.0 41.9 1.0 CB K:SER33 4.2 48.0 1.0 CA K:SER33 4.2 46.5 1.0 N3 0:A2583 4.2 47.9 1.0 C1' 0:U2597 4.3 51.9 1.0 CB K:PRO45 4.4 42.5 1.0 N1 0:A2596 4.5 50.2 1.0 CG K:LYS14 4.5 37.9 1.0 O2 0:U2597 4.6 54.9 1.0 C K:ILE32 4.6 43.5 1.0 C1' 0:A2583 4.6 42.8 1.0 C2 0:G2582 4.6 48.1 1.0 C4 0:A2583 4.8 46.4 1.0 O2' 0:U2597 4.8 50.7 1.0 O K:HOH7169 4.9 0.0 1.0 C4 0:A2596 4.9 50.9 1.0 C2 0:A2583 4.9 48.4 1.0 N1 0:U2597 4.9 52.8 1.0 O4' 0:U2597 4.9 51.2 1.0 N K:SER33 5.0 44.1 1.0 N9 0:A2583 5.0 44.2 1.0

Chlorine binding site 6 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8813 b:54.6 occ:1.00 N1 0:G1329 2.9 33.7 1.0 N2 0:G1329 3.1 34.5 1.0 O 0:HOH4969 3.1 58.6 1.0 N6 0:A1328 3.4 30.1 1.0 C2 0:G1329 3.5 34.4 1.0 O2' 0:G1300 3.6 29.9 1.0 N2 0:G1299 3.7 34.6 1.0 O Y:HOH8834 3.9 35.3 1.0 O 0:HOH3649 3.9 29.9 1.0 C6 0:G1329 4.0 35.1 1.0 N1 0:A1330 4.1 38.9 1.0 C1' 0:G1300 4.1 35.1 1.0 O 0:HOH4852 4.2 42.5 1.0 O6 0:G1329 4.2 40.1 1.0 O4' 0:G1300 4.4 37.0 1.0 C2' 0:G1300 4.5 33.7 1.0 C2 0:A1330 4.6 38.8 1.0 N3 0:G1299 4.6 37.2 1.0 C2 0:G1299 4.6 35.9 1.0 C6 0:A1328 4.7 27.9 1.0 N3 0:G1329 4.8 34.3 1.0 NH2 Y:ARG169 4.8 42.3 1.0 C4' 0:G1300 4.9 35.8 1.0 C6 0:A1330 4.9 38.8 1.0

Chlorine binding site 7 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8814 b:64.3 occ:1.00 O2' 0:G644 3.0 31.0 1.0 ND1 L:HIS13 3.0 29.3 1.0 O 0:HOH7707 3.2 40.8 1.0 C2' 0:G644 3.6 30.0 1.0 CG L:GLN7 3.7 40.2 1.0 N9 0:G644 3.9 26.5 1.0 CE1 L:HIS13 3.9 30.0 1.0 CG L:HIS13 4.0 29.8 1.0 C4 0:G644 4.1 28.1 1.0 CB L:HIS13 4.1 29.0 1.0 C1' 0:G644 4.2 29.4 1.0 CG L:LYS4 4.2 38.0 1.0 C8 0:G644 4.3 29.6 1.0 CB L:GLN7 4.3 35.4 1.0 N3 0:G644 4.4 29.2 1.0 C5 0:G644 4.5 29.4 1.0 O 0:HOH3189 4.5 34.0 1.0 N7 0:G644 4.6 29.8 1.0 CA L:LYS4 4.7 37.4 1.0 CD L:GLN7 4.7 43.5 1.0 OE1 L:GLN7 4.9 45.2 1.0 CB L:LYS4 4.9 37.0 1.0 NZ L:LYS4 5.0 50.1 1.0

Chlorine binding site 8 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8815 b:92.3 occ:1.00 N2 0:G1646 3.2 47.9 1.0 N6 0:A1598 3.3 59.6 1.0 N6 0:A1597 3.4 51.7 1.0 O 0:HOH6782 4.0 58.1 1.0 C1' 0:G1647 4.0 51.1 1.0 N7 0:A1597 4.1 51.1 1.0 O4' 0:G1647 4.1 50.3 1.0 C6 0:A1598 4.2 57.4 1.0 C2 0:G1646 4.3 48.7 1.0 C1' 0:G1540 4.3 59.1 1.0 C6 0:A1597 4.4 51.7 1.0 N3 0:G1646 4.4 48.4 1.0 C5 0:A1597 4.6 51.9 1.0 O4' 0:G1540 4.8 58.0 1.0 N9 0:G1647 4.8 51.6 1.0 O2' 0:G1647 4.8 46.2 1.0 N3 0:G1540 4.8 58.8 1.0 O2' 0:G1540 4.8 57.5 1.0 C5 0:A1598 4.9 56.8 1.0 O2' 0:U1596 4.9 58.5 1.0 N7 0:A1598 5.0 57.1 1.0 N9 0:G1540 5.0 59.4 1.0 N1 0:A1598 5.0 57.4 1.0

Chlorine binding site 9 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8816 b:74.4 occ:1.00 C8 0:G1119 3.2 37.4 1.0 O2' 0:G1119 3.3 37.5 1.0 N4 0:C1243 3.4 41.0 1.0 NZ J:LYS56 3.4 41.8 1.0 CD J:LYS56 3.7 40.3 1.0 N7 0:G1119 3.8 37.0 1.0 C2' 0:G1119 3.9 38.7 1.0 NE2 J:GLN52 4.0 48.9 1.0 N9 0:G1119 4.0 36.5 1.0 OE1 J:GLN52 4.1 50.0 1.0 CE J:LYS56 4.1 41.8 1.0 O 0:HOH3455 4.2 33.7 1.0 C4 0:C1243 4.3 42.8 1.0 CD J:GLN52 4.4 49.4 1.0 C1' 0:G1119 4.5 38.3 1.0 C5 0:C1243 4.5 42.6 1.0 O 0:HOH6931 4.7 40.9 1.0 C5 0:G1119 4.7 33.3 1.0 C4 0:G1119 4.9 34.2 1.0 CG J:LYS56 5.0 40.3 1.0

Chlorine binding site 10 out of 23 in the Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Clindamycin Bound to the G2099A Mutant 50S Ribosomal Subunit of Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ 0:Cl8817 b:68.3 occ:1.00 O Y:HOH8857 2.8 88.1 1.0 O2' 0:C594 3.0 53.5 1.0 O Y:HOH8836 3.3 44.9 1.0 O Y:HOH8901 3.3 37.4 1.0 CG Y:ARG115 3.5 48.7 1.0 O4' 0:U595 3.6 57.4 1.0 CD Y:ARG115 3.6 51.8 1.0 NE Y:ARG115 3.7 56.0 1.0 C4' 0:U595 3.7 55.0 1.0 C5' 0:U595 3.8 51.5 1.0 NH2 Y:ARG122 4.0 50.8 1.0 C2' 0:C594 4.0 55.1 1.0 O 0:HOH6531 4.6 62.8 1.0 O Y:HOH8891 4.6 71.7 1.0 CZ Y:ARG115 4.7 59.0 1.0 C1' 0:U595 4.8 58.2 1.0 O2 0:C594 4.9 62.5 1.0 NE2 Y:GLN119 4.9 47.9 1.0 CB Y:ARG115 4.9 47.8 1.0 O5' 0:U595 4.9 49.4 1.0 C1' 0:C594 4.9 58.0 1.0

D.Tu, G.Blaha, P.B.Moore, T.A.Steitz. Structures of Mlsbk Antibiotics Bound to Mutated Large Ribosomal Subunits Provide A Structural Explanation For Resistance. Cell(Cambridge,Mass.) V. 121 257 2005.
ISSN: ISSN 0092-8674
PubMed: 15851032
DOI: 10.1016/J.CELL.2005.02.005