MolNFT v1 · #156807 · protein
Crystal structure of a 5-domain construct of lgra in the substrate donation state
6MFY · Linear gramicidin synthase subunit a: “Crystal structure of a 5-domain construct of lgra in the substrate donation state”. X-ray diffraction, 2 ligands (PNS, PO4), 19 pockets (best druggability 0.85). MolNFT v1 #156807 on GenesisL1…
- PDB
- 6MFY
- Type
- protein
- Length
- 1,598 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Linear gramicidin synthase subunit a
- UniProt
- Q70LM7
- Ligands
- PNS, PO4
- Pockets
- 19 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Linear gramicidin synthase subunit a | protein | 1598 | 34% helix, 23% strand | Q70LM7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 621 | 0.85 | 0.90 | 89 | PNS, PO4 |
| 2 | 551 | 0.82 | 0.88 | 72 | PO4 |
| 3 | 232 | 0.68 | 0.85 | 27 | empty |
| 4 | 274 | 0.67 | 0.83 | 43 | PO4 |
| 5 | 471 | 0.67 | 0.78 | 33 | empty |
Modifications
Observed in the structure: 1 cofactor (phosphopantetheinylation).
Compared structures
- 6MFY · Crystal structure of a 5-domain construct of LgrA in the substrate donation state · the same entry in another collection · chain A against A, TM-score 1.00
- Q70LM7 · AlphaFold monomer V2.0 prediction for linear gramicidin synthase subunit a (Q70LM7) · a predicted model of the same protein · chain A against A, TM-score 0.64
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 Q70LM7
- Elsewhere: RCSB PDB 6MFY · PDBe 6MFY · UniProt Q70LM7
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