MolNFT v1 · #104736 · protein
Crystal structure of M. tuberculosis phosphopantetheinyl transferase pptt
4QJK: “Crystal structure of M. tuberculosis phosphopantetheinyl transferase pptt”. X-ray diffraction, 2 ligands (COA, SO4), 2 pockets (best druggability 0.60). MolNFT v1 #104736 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QJK
- Type
- protein
- Length
- 228 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantetheinyl transferase pptt
- EC
- 2.7.8.7
- UniProt
- O33336
- Ligands
- COA, SO4
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheinyl transferase pptt (EC 2.7.8.7) | protein | 228 | 33% helix, 29% strand | O33336 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 324 | 0.60 | 0.78 | 37 | COA |
| 2 | 67 | 0.31 | 0.75 | 13 | empty |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 4QJK · Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT · the same entry in another collection · chain A against A, TM-score 1.00
- O33336 · AlphaFold monomer V2.0 prediction for 4'-phosphopantetheinyl transferase pptt (O33336) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O33336
- Elsewhere: RCSB PDB 4QJK · PDBe 4QJK · UniProt O33336
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