MolNFT v1 · #176990 · protein
Non-ribosomal peptide synthetases, thioesterase
7E3Z: “Non-ribosomal peptide synthetases, thioesterase”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.69). MolNFT v1 #176990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7E3Z
- Type
- protein
- Length
- 247 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioesterase
- Ligands
- CL
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioesterase | protein | 247 | 40% helix, 16% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
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 | 337 | 0.69 | 0.83 | 31 | CL |
| 2 | 143 | 0.41 | 0.74 | 23 | empty |
Compared structures
- 7E3Z · Non-Ribosomal Peptide Synthetases, Thioesterase · 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
- Elsewhere: RCSB PDB 7E3Z · PDBe 7E3Z
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