MolNFT v1 · #101318 · protein
Structural basis for targeting the ribosomal protein S1 of mycobacterium tuberculosis by pyrazinamide
4NNI · 30S ribosomal protein S1: “Structural basis for targeting the ribosomal protein S1 of mycobacterium tuberculosis by pyrazinamide”. X-ray diffraction, 1 ligand (VGL), 4 pockets (best druggability 0.42). MolNFT v1 #101318 on…
- 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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