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E. COLI 50S ribosome bound to VM2

Analyse E. COLI 50S ribosome bound to VM2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PCQ
Type
protein + RNA
Length
3,978 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
23S ribosomal RNA; 5S ribosomal RNA; 50S ribosomal protein L2; 50S ribosomal protein L15…
UniProt
P60422, A0A037Y8L6, D7Z9F6, P60438, D7ZET0
Ligands
O8J
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 7 distinct chains · 18% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
I23S ribosomal RNArna2897——
J5S ribosomal RNArna118——
K50S ribosomal protein L2protein2705% helix, 27% strandP60422
L50S ribosomal protein L15protein14417% helix, 9% strandA0A037Y8L6
M50S ribosomal protein L4protein20134% helix, 10% strandD7Z9F6
N50S ribosomal protein L3protein2069% helix, 37% strandP60438
O50S ribosomal protein L13protein14235% helix, 18% strandD7ZET0

Ligands and binding sites

  • O8J · (3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26A-octahydro-1H,3H, 22H-21,18-(azeno)pyrrolo[2,1-C][1,8,4, 19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone · ligand · chains I

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111560.880.91110empty
211100.880.90108empty
39670.870.8989empty
47280.860.9095empty
59640.850.8766empty

Interfaces

8 interfaces between chains.

  • I–K · 7129 Ų buried · 186 hydrogen bonds · protein-nucleic
  • I–N · 4937 Ų buried · 107 hydrogen bonds · protein-nucleic
  • I–L · 4554 Ų buried · 103 hydrogen bonds · protein-nucleic
  • I–M · 4156 Ų buried · 84 hydrogen bonds · protein-nucleic
  • I–O · 2755 Ų buried · 58 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 21 modified (nucleotide modification).

Compared structures

  • 6PCQ · E. coli 50S ribosome bound to VM2 · the same entry in another collection · chain I against I, TM-score 1.00

Analyse

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