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Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit head

Analyse Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit head in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YTF
Type
protein + RNA
Length
1,329 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; E-site tRNA; MRNA; 30S ribosomal protein S3; 30S ribosomal protein S7…
UniProt
D0CD03, D0C9P7, D0CG36, D0CCZ6, D0CD19, D0CD10, D0CD01
Ligands
T1C, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 10 distinct chains · 37% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
316S ribosomal RNArna453——
7E-site tRNArna20——
9MRNArna4——
d30S ribosomal protein S3protein21031% helix, 28% strandD0CD03
h30S ribosomal protein S7protein11755% helix, 0% strandD0C9P7
j30S ribosomal protein S9protein12734% helix, 18% strandD0CG36
k30S ribosomal protein S10protein10022% helix, 45% strandD0CCZ6
n30S ribosomal protein S13protein11548% helix, 3% strandD0CD19
o30S ribosomal protein S14protein10052% helix, 4% strandD0CD10
t30S ribosomal protein S19protein8320% helix, 18% strandD0CD01

Ligands and binding sites

  • T1C · Tigecycline · ligand · chains 3
  • MG · Magnesium ion · metal · 24 copies · chains 3, o, j, n

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111970.840.8690MG
28210.840.8862MG
39820.830.8598MG
46460.820.8876MG
59220.810.8373MG

Interfaces

19 interfaces between chains.

  • 3–j · 2824 Ų buried · 64 hydrogen bonds · protein-nucleic
  • 3–o · 2300 Ų buried · 54 hydrogen bonds · protein-nucleic
  • 3–n · 1968 Ų buried · 42 hydrogen bonds · protein-nucleic
  • 3–k · 1736 Ų buried · 43 hydrogen bonds · protein-nucleic
  • 3–d · 1648 Ų buried · 40 hydrogen bonds · protein-nucleic

Compared structures

  • 6YTF · Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit head · the same entry in another collection · chain d against d, TM-score 1.00

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