MolNFT v1 · #46369 · protein
Mycobacterium tuberculosis tryptophan synthase beta subunit dimer (apoform)
2O2E · Tryptophan synthase beta chain: “Mycobacterium tuberculosis tryptophan synthase beta subunit dimer (apoform)”. X-ray diffraction, 7 pockets (best druggability 0.83). MolNFT v1 #46369 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2O2E
- Type
- protein
- Length
- 631 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase beta chain
- EC
- 4.2.1.20
- UniProt
- P66984
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase beta chain (EC 4.2.1.20) | protein | 315 | 52% helix, 16% strand | P66984 |
| B | Tryptophan synthase beta chain (EC 4.2.1.20) | protein | 316 | 50% helix, 16% strand | P66984 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.83 | 0.84 | 77 | empty |
| 2 | 264 | 0.61 | 0.80 | 32 | empty |
| 3 | 88 | 0.57 | 0.87 | 20 | empty |
| 4 | 94 | 0.43 | 0.79 | 24 | empty |
| 5 | 59 | 0.30 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1500 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2O2E · Mycobacterium tuberculosis tryptophan synthase beta subunit dimer (apoform) · the same entry in another collection · chain A against A, 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 P66984
- Elsewhere: RCSB PDB 2O2E · PDBe 2O2E · UniProt P66984
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