MolNFT v1 · #174990 · protein
Quinolone synthase from aegle marmelos correa complexed with N- methylanthraniloyl-CoA
7CCT · Type III polyketide synthase: “Quinolone synthase from aegle marmelos correa complexed with N- methylanthraniloyl-CoA”. X-ray diffraction, 1 ligand (FWC), 2 pockets (best druggability 0.76). MolNFT v1 #174990 on GenesisL1: 3D…
- PDB
- 7CCT
- Type
- protein
- Length
- 376 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type III polyketide synthase
- UniProt
- M1HE54
- Ligands
- FWC
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type III polyketide synthase | protein | 376 | 40% helix, 24% strand | M1HE54 |
Ligands and binding sites
- FWC · N-Methylanthraniloyl-CoA · ligand · 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 | 352 | 0.76 | 0.87 | 47 | FWC |
| 2 | 51 | 0.29 | 0.75 | 14 | empty |
Compared structures
- 7CCT · Quinolone synthase from Aegle marmelos Correa complexed with N-Methylanthraniloyl-CoA · 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 M1HE54
- Elsewhere: RCSB PDB 7CCT · PDBe 7CCT · UniProt M1HE54
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