MolNFT v1 · #160175 · protein + RNA
E. COLI 50S ribosome bound to compound 41Q
6PCT · 23S ribosomal RNA: “E. COLI 50S ribosome bound to compound 41Q”. Electron microscopy, 1 ligand (O8V), 20 pockets (best druggability 0.86). MolNFT v1 #160175 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PCT
- Type
- protein + RNA
- Length
- 3,979 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
- O8V
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 7 distinct chains · 19% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I | 23S ribosomal RNA | rna | 2897 | — | — |
| J | 5S ribosomal RNA | rna | 118 | — | — |
| K | 50S ribosomal protein L2 | protein | 271 | 7% helix, 27% strand | P60422 |
| L | 50S ribosomal protein L15 | protein | 144 | 18% helix, 8% strand | A0A037Y8L6 |
| M | 50S ribosomal protein L4 | protein | 201 | 33% helix, 12% strand | D7Z9F6 |
| N | 50S ribosomal protein L3 | protein | 206 | 10% helix, 35% strand | P60438 |
| O | 50S ribosomal protein L13 | protein | 142 | 37% helix, 19% strand | D7ZET0 |
Ligands and binding sites
- O8V · (2S)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25, 26,26A-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 823 | 0.86 | 0.90 | 79 | empty |
| 2 | 880 | 0.86 | 0.89 | 82 | empty |
| 3 | 1155 | 0.86 | 0.88 | 95 | empty |
| 4 | 599 | 0.85 | 0.91 | 80 | empty |
| 5 | 941 | 0.84 | 0.87 | 64 | empty |
Interfaces
8 interfaces between chains.
- I–K · 7212 Ų buried · 180 hydrogen bonds · protein-nucleic
- I–N · 4892 Ų buried · 106 hydrogen bonds · protein-nucleic
- I–L · 4517 Ų buried · 99 hydrogen bonds · protein-nucleic
- I–M · 4146 Ų buried · 96 hydrogen bonds · protein-nucleic
- I–O · 2717 Ų buried · 66 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 21 modified (nucleotide modification).
Compared structures
- 6PCT · E. coli 50S ribosome bound to compound 41q · the same entry in another collection · chain I against I, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P60422
- Every structure of UniProt A0A037Y8L6
- Every structure of UniProt D7Z9F6
- Every structure of UniProt P60438
- Every structure of UniProt D7ZET0
- Elsewhere: RCSB PDB 6PCT · PDBe 6PCT · UniProt P60422 · UniProt A0A037Y8L6 · UniProt D7Z9F6 · UniProt P60438 · UniProt D7ZET0
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