MolNFT v1 · #85778 · protein
Crystal structure of the acyltransferase domain of the iterative polyketide synthase in enediyne biosynthesis reveals the molecular basis of substrate specificity
4AMO · DYNE8: “Crystal structure of the acyltransferase domain of the iterative polyketide synthase in enediyne biosynthesis…”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #85778 on GenesisL1: 3D structure, binding…
- PDB
- 4AMO
- Type
- protein
- Length
- 371 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DYNE8
- UniProt
- Q84HI8
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DYNE8 | protein | 371 | 46% helix, 18% strand | Q84HI8 |
Ligands and binding sites
- ACY · Acetic acid · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.68 | 0.83 | 37 | ACY |
| 2 | 130 | 0.39 | 0.74 | 29 | empty |
| 3 | 67 | 0.27 | 0.72 | 19 | empty |
Compared structures
- 4AMO · Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in… · 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 Q84HI8
- Elsewhere: RCSB PDB 4AMO · PDBe 4AMO · UniProt Q84HI8
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