Chlorine in PDB 3i56: Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit

The structure of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit, PDB code: 3i56 was solved by G.Gurel, G.Blaha, T.A.Steitz, P.B.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	212.430, 300.773, 575.414, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 24.3

The structure of Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit also contains other interesting chemical elements:

Strontium	(Sr)	108 atoms
Magnesium	(Mg)	93 atoms
Potassium	(K)	2 atoms
Cadmium	(Cd)	5 atoms
Sodium	(Na)	75 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit (pdb code 3i56). 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit, PDB code: 3i56:
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 Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8809 b:86.6 occ:1.00 O 0:HOH5843 3.0 86.4 1.0 O 0:HOH4231 3.2 30.5 1.0 NZ A:LYS178 3.3 38.0 1.0 CE A:LYS175 4.0 30.4 1.0 CE A:MET179 4.1 37.5 1.0 CD A:LYS178 4.1 34.9 1.0 CE A:LYS178 4.3 36.0 1.0 OP2 0:G1878 4.3 27.9 1.0 O 0:HOH6202 4.5 33.3 1.0 O A:HOH3827 4.5 24.6 1.0 SD A:MET179 4.6 35.8 1.0 CE1 A:PHE169 4.7 18.0 1.0 CZ A:PHE169 4.7 16.2 1.0 O 0:HOH7713 4.8 31.5 1.0 NZ A:LYS175 4.9 31.6 1.0 CD A:LYS175 5.0 29.3 1.0

Chlorine binding site 2 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl8819 b:42.7 occ:1.00 O 0:HOH5460 2.9 53.1 1.0 O 0:HOH5506 3.4 24.7 1.0 O 0:HOH5210 3.5 45.5 1.0 O B:HOH3923 3.5 45.6 1.0 N B:LYS224 3.6 25.1 1.0 CD2 B:HIS227 3.6 16.7 1.0 CA B:ARG223 3.8 27.8 1.0 O2' 0:U2545 3.8 28.8 1.0 CB B:HIS227 3.8 15.6 1.0 CG B:HIS227 3.8 16.2 1.0 CD B:ARG223 3.9 32.6 1.0 CB B:ARG223 4.1 28.3 1.0 C B:ARG223 4.2 27.5 1.0 O4' 0:U2546 4.3 21.5 1.0 C4' 0:U2546 4.3 21.1 1.0 CG B:ARG223 4.4 31.4 1.0 O B:LYS224 4.5 25.8 1.0 NE2 B:HIS227 4.5 17.3 1.0 C5' 0:U2546 4.6 22.3 1.0 N2 0:G2613 4.7 24.1 1.0 CA B:LYS224 4.7 23.0 1.0 ND1 B:HIS227 4.8 17.0 1.0 O B:LYS222 4.8 26.1 1.0 C2' 0:U2545 4.9 27.2 1.0 NE B:ARG223 4.9 31.6 1.0 CB B:LYS224 4.9 21.8 1.0 N B:ARG223 5.0 26.1 1.0

Chlorine binding site 3 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl8801 b:58.6 occ:1.00 N J:ILE127 3.1 39.9 1.0 O J:HOH4193 3.2 54.9 1.0 O J:HOH4038 3.3 47.3 1.0 N J:LYS128 3.3 35.5 1.0 OD1 J:ASN126 3.4 49.2 1.0 O 0:HOH8686 3.4 74.2 1.0 CA J:ASN126 3.6 42.5 1.0 CG2 J:ILE127 3.7 40.0 1.0 C J:ASN126 3.9 41.4 1.0 CB J:LYS128 4.0 33.6 1.0 CB J:ASN126 4.0 44.8 1.0 CA J:ILE127 4.0 38.6 1.0 CG E:PRO36 4.1 44.9 1.0 CG J:ASN126 4.1 47.8 1.0 C J:ILE127 4.2 37.2 1.0 CG J:LYS128 4.2 33.2 1.0 CA J:LYS128 4.2 33.6 1.0 O J:SER125 4.3 44.4 1.0 CB J:ILE127 4.4 39.1 1.0 O 0:HOH5989 4.7 47.2 1.0 CD J:LYS128 4.8 32.0 1.0 N J:ASN126 4.8 43.0 1.0 O J:LYS128 5.0 32.5 1.0 C J:LYS128 5.0 32.9 1.0

Chlorine binding site 4 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl8802 b:66.0 occ:1.00 C J:PRO88 3.5 35.9 1.0 CA J:PRO88 3.5 36.4 1.0 CB J:LYS90 3.5 43.4 1.0 N J:LYS90 3.5 42.9 1.0 O J:PRO88 3.7 34.5 1.0 CG J:LYS90 3.8 41.7 1.0 CB J:PRO88 3.8 36.5 1.0 N J:HIS89 4.0 37.5 1.0 CA J:LYS90 4.0 44.5 1.0 N J:LYS91 4.2 47.6 1.0 CG J:LYS91 4.5 52.3 1.0 C J:LYS90 4.5 45.9 1.0 C J:HIS89 4.6 40.7 1.0 CA J:HIS89 4.8 39.0 1.0 ND1 J:HIS89 4.8 39.9 1.0 N J:PRO88 4.9 37.0 1.0

Chlorine binding site 5 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl8821 b:61.2 occ:1.00 O J:ASN65 3.0 40.8 1.0 O J:HOH4949 3.3 47.8 1.0 N J:ASN65 3.3 38.4 1.0 CA J:GLY64 3.4 37.5 1.0 CA J:GLY68 3.5 45.0 1.0 N J:TYR69 3.8 46.3 1.0 C J:GLY64 3.8 38.6 1.0 C J:ASN65 4.0 39.4 1.0 C J:GLY68 4.2 45.6 1.0 CA J:ASN65 4.3 38.4 1.0 OP1 0:A2678 4.4 34.3 1.0 N J:GLY68 4.4 43.2 1.0 O3' 0:A2677 4.4 33.6 1.0 O J:TYR69 4.4 49.4 1.0 O J:ILE63 4.5 39.0 1.0 N J:GLY64 4.7 37.3 1.0 O J:HOH6706 4.7 41.0 1.0 CA J:TYR69 4.9 47.2 1.0 C J:TYR69 4.9 48.2 1.0 O J:GLY64 4.9 39.7 1.0 OD1 J:ASN65 5.0 41.1 1.0 C J:ILE63 5.0 38.0 1.0

Chlorine binding site 6 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl8812 b:39.6 occ:1.00 O 0:HOH4058 2.6 53.0 1.0 O K:ILE32 3.4 35.8 1.0 OG K:SER33 3.4 36.7 1.0 C2 0:A2596 3.4 36.1 1.0 CD K:LYS14 3.4 23.7 1.0 N3 0:A2596 3.5 36.2 1.0 NZ K:LYS14 3.5 21.0 1.0 CE K:LYS14 3.6 24.0 1.0 N2 0:G2582 3.7 33.5 1.0 CG K:PRO45 3.9 31.8 1.0 CB K:SER33 4.1 36.2 1.0 N3 0:A2583 4.1 29.9 1.0 CA K:SER33 4.2 35.4 1.0 C K:ILE32 4.4 33.8 1.0 CB K:PRO45 4.5 32.8 1.0 O K:HOH7169 4.5 0.9 1.0 CG K:LYS14 4.5 24.0 1.0 C1' 0:U2597 4.5 34.8 1.0 C1' 0:A2583 4.6 25.4 1.0 N1 0:A2596 4.6 35.9 1.0 C2 0:A2583 4.7 31.2 1.0 C4 0:A2583 4.7 28.6 1.0 C4 0:A2596 4.8 35.9 1.0 N K:SER33 4.8 34.2 1.0 O K:HOH7499 4.9 96.2 1.0 C2 0:G2582 4.9 32.7 1.0 N9 0:A2583 4.9 26.8 1.0 O2 0:U2597 5.0 36.7 1.0

Chlorine binding site 7 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl8810 b:69.5 occ:1.00 NE2 L:GLN58 3.0 74.7 1.0 N L:ARG53 3.5 39.1 1.0 C5' 0:A693 3.6 33.9 1.0 CB L:ARG53 3.8 39.2 1.0 O3' 0:A693 4.1 35.8 1.0 CA L:ARG53 4.2 40.9 1.0 CD L:GLN58 4.2 73.9 1.0 C4' 0:A693 4.3 33.7 1.0 CG L:ARG53 4.3 38.5 1.0 CA L:LYS52 4.3 36.1 1.0 OP1 0:A693 4.3 35.5 1.0 C L:LYS52 4.4 37.9 1.0 O L:ARG53 4.4 43.8 1.0 O5' 0:A693 4.6 33.6 1.0 C3' 0:A693 4.7 34.1 1.0 CG L:GLN58 4.8 73.6 1.0 CD L:ARG53 4.8 37.2 1.0 O L:PHE51 4.8 32.9 1.0 C L:ARG53 4.8 43.4 1.0 OP1 0:A694 4.8 36.9 1.0 CB L:LYS52 4.9 35.0 1.0 P 0:A694 5.0 37.6 1.0

Chlorine binding site 8 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl8814 b:52.0 occ:1.00 O2' 0:G644 2.9 22.6 1.0 ND1 L:HIS13 3.0 19.6 1.0 O 0:HOH7681 3.4 35.2 1.0 C2' 0:G644 3.6 18.6 1.0 CG L:GLN7 3.9 22.7 1.0 N9 0:G644 3.9 15.8 1.0 CE1 L:HIS13 3.9 19.2 1.0 CG L:HIS13 4.0 19.0 1.0 C4 0:G644 4.0 16.4 1.0 CB L:HIS13 4.1 17.2 1.0 C1' 0:G644 4.2 16.8 1.0 C8 0:G644 4.2 19.1 1.0 O 0:HOH7492 4.3 46.5 1.0 CB L:GLN7 4.4 19.9 1.0 C5 0:G644 4.4 18.0 1.0 N3 0:G644 4.4 16.9 1.0 CG L:LYS4 4.5 19.9 1.0 N7 0:G644 4.5 19.2 1.0 NZ L:LYS4 4.7 25.6 1.0 OE1 L:GLN7 4.7 27.9 1.0 CD L:GLN7 4.8 25.6 1.0 CA L:LYS4 4.8 23.8 1.0 O L:HIS13 4.8 19.6 1.0 O L:LYS4 4.8 23.8 1.0 C3' 0:G644 5.0 19.0 1.0

Chlorine binding site 9 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ M:Cl8818 b:36.5 occ:1.00 O M:HOH6250 2.8 50.3 1.0 OG M:SER106 3.1 26.5 1.0 N M:VAL114 3.2 28.7 1.0 CG1 M:VAL159 3.4 26.4 1.0 N M:VAL159 3.5 28.5 1.0 CB M:VAL159 3.7 27.2 1.0 N M:ARG158 3.7 31.8 1.0 CG M:ARG158 3.8 25.9 1.0 CA M:ARG113 3.8 28.0 1.0 CB M:VAL114 3.9 27.7 1.0 CG2 M:VAL114 3.9 26.3 1.0 C M:ARG113 4.0 29.1 1.0 C M:ASP157 4.1 34.2 1.0 CA M:VAL114 4.1 28.4 1.0 CA M:ASP157 4.2 35.0 1.0 CB M:SER106 4.2 29.8 1.0 CA M:VAL159 4.2 27.9 1.0 CB M:ARG113 4.4 25.0 1.0 CA M:ARG158 4.4 29.6 1.0 C M:ARG158 4.4 29.7 1.0 O M:LEU112 4.6 31.7 1.0 N M:ASP157 4.6 34.6 1.0 CB M:ARG158 4.6 28.3 1.0 NA M:NA8539 4.7 19.0 1.0 CD M:ARG158 4.7 23.5 1.0 CG M:ARG113 4.7 24.7 1.0 CE1 M:PHE160 4.8 24.9 1.0 O M:ASP157 4.8 35.0 1.0 O M:VAL114 4.9 29.7 1.0 N M:ARG113 5.0 29.0 1.0

Chlorine binding site 10 out of 22 in the Co-Crystal Structure of Triacetyloleandomcyin Bound to the Large 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 Triacetyloleandomcyin Bound to the Large Ribosomal Subunit within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl8807 b:45.8 occ:1.00 OD1 N:ASN107 3.1 47.3 1.0 O N:HOH1538 3.1 67.2 1.0 N N:LYS38 3.3 56.3 1.0 O N:LYS38 3.5 61.2 1.0 CD N:ARG37 3.7 55.2 1.0 CA N:ARG37 3.7 54.2 1.0 CB N:ARG37 3.9 55.3 1.0 CG N:ASN107 3.9 47.2 1.0 C N:ARG37 4.0 55.5 1.0 ND2 N:ASN107 4.1 45.8 1.0 C N:LYS38 4.2 60.7 1.0 CA N:LYS38 4.2 58.6 1.0 CG N:LYS38 4.2 59.3 1.0 CD D:LYS146 4.4 59.0 1.0 CG N:ARG37 4.4 56.1 1.0 O N:ALA36 4.8 45.6 1.0 NH1 N:ARG37 4.8 58.1 1.0 CB N:LYS38 4.8 58.8 1.0 NZ D:LYS146 4.9 60.6 1.0 NE N:ARG37 4.9 55.8 1.0 CE D:LYS146 5.0 60.4 1.0

G.Gurel, G.Blaha, T.A.Steitz, P.B.Moore. Structures of Triacetyloleandomycin and Mycalamide A Bind to the Large Ribosomal Subunit of Haloarcula Marismortui. Antimicrob.Agents Chemother. V. 53 5010 2009.
ISSN: ISSN 0066-4804
PubMed: 19738021
DOI: 10.1128/AAC.00817-09