MolNFT v1 · #145187 · protein
Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase
6CGO · Condensation domain protein: “Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase”. X-ray diffraction, 1 ligand (PO4), 13 pockets (best druggability 0.79). MolNFT v1 #145187 on…
- PDB
- 6CGO
- Type
- protein
- Length
- 1,028 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Condensation domain protein
- UniProt
- Q0B313
- Ligands
- PO4
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Condensation domain protein | protein | 520 | 38% helix, 24% strand | Q0B313 |
| B | Condensation domain protein | protein | 508 | 39% helix, 24% strand | Q0B313 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.79 | 0.80 | 92 | empty |
| 2 | 921 | 0.74 | 0.78 | 88 | PO4 |
| 3 | 871 | 0.73 | 0.77 | 82 | PO4 |
| 4 | 221 | 0.56 | 0.79 | 39 | empty |
| 5 | 139 | 0.50 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 2586 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 6CGO · Molecular basis for condensation domain-mediated chain release from the enacyloxin… · 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 Q0B313
- Elsewhere: RCSB PDB 6CGO · PDBe 6CGO · UniProt Q0B313
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