Research workbench
Structural basis for targeting the ribosomal protein S1 of mycobacterium tuberculosis by pyrazinamide
Analyse Structural basis for targeting the ribosomal protein S1 of mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NNI
- Type
- protein
- Length
- 322 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 30S ribosomal protein S1
- UniProt
- P9WH43
- Ligands
- VGL
- Pockets
- 4 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 30S ribosomal protein S1 | protein | 161 | 34% helix, 27% strand | P9WH43 |
Ligands and binding sites
- VGL · Pyrazine-2-carboxylic acid · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.42 | 0.77 | 16 | empty |
| 2 | 94 | 0.41 | 0.77 | 22 | empty |
| 3 | 103 | 0.38 | 0.75 | 18 | empty |
| 4 | 52 | 0.27 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 294 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4NNI · Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WH43 · AlphaFold monomer V2.0 prediction for 30S ribosomal protein S1 (P9WH43) · a predicted model of the same protein · chain A against A, TM-score 0.66
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 P9WH43
- Elsewhere: RCSB PDB 4NNI · PDBe 4NNI · UniProt P9WH43
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