MolNFT v1 · #114427 · protein
Dehydratase domain (dh) of a mycocerosic acid synthase-like (mas-like) pks, crystal form 2
5BP3 · Mycocerosic acid synthase-like polyketide synthase: “Dehydratase domain (dh) of a mycocerosic acid synthase-like (mas-like) pks, crystal form 2”. X-ray diffraction, 4 pockets (best druggability 0.66). MolNFT v1 #114427 on GenesisL1…
- PDB
- 5BP3
- Type
- protein
- Length
- 568 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mycocerosic acid synthase-like polyketide synthase
- EC
- 2.3.1.-
- UniProt
- A0R1E8
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mycocerosic acid synthase-like polyketide synthase (EC 2.3.1.-) | protein | 286 | 22% helix, 40% strand | A0R1E8 |
| B | Mycocerosic acid synthase-like polyketide synthase (EC 2.3.1.-) | protein | 282 | 22% helix, 40% strand | A0R1E8 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 6 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.66 | 0.96 | 21 | EDO |
| 2 | 123 | 0.57 | 0.84 | 26 | EDO |
| 3 | 56 | 0.37 | 0.79 | 15 | empty |
| 4 | 59 | 0.29 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 19 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5BP3 · Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 2 · the same entry in another collection · chain A against A, TM-score 1.00
- A0R1E8 · AlphaFold monomer V2.0 prediction for mycocerosic acid synthase-like polyketide synthase… · a predicted model of the same protein · chain B 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 A0R1E8
- Elsewhere: RCSB PDB 5BP3 · PDBe 5BP3 · UniProt A0R1E8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.