MolNFT v1 · #104314 · protein
Crystal structure of a putative uncharacterized protein from mycobacterium tuberculosis
4Q6U: “Crystal structure of a putative uncharacterized protein from mycobacterium tuberculosis”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #104314 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Q6U
- Type
- protein
- Length
- 642 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- O06357
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 318 | 17% helix, 39% strand | O06357 |
| B | Uncharacterized protein | protein | 324 | 19% helix, 38% strand | O06357 |
Ligands and binding sites
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 229 | 0.78 | 0.91 | 37 | 1PE |
| 2 | 292 | 0.72 | 0.85 | 47 | empty |
| 3 | 370 | 0.62 | 0.78 | 30 | empty |
| 4 | 153 | 0.46 | 0.77 | 22 | empty |
| 5 | 95 | 0.44 | 0.79 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1202 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 4Q6U · Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis · 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 O06357
- Elsewhere: RCSB PDB 4Q6U · PDBe 4Q6U · UniProt O06357
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