MolNFT v1 · #184009 · protein
Cryo-EM structure of the plectasin fibril (single strand)
7OAG · Fungal defensin plectasin: “Cryo-EM structure of the plectasin fibril (single strand)”. Electron microscopy, 19 pockets (best druggability 0.81). MolNFT v1 #184009 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7OAG
- Type
- protein
- Length
- 1,000 residues
- Chains
- 25
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fungal defensin plectasin
- UniProt
- Q53I06
- Pockets
- 19 · best druggability 0.81
Structure
electron microscopy · 1 distinct chain · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y | Fungal defensin plectasin | protein | 40 | 35% helix, 18% strand | Q53I06 |
Pockets
19 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 786 | 0.81 | 0.84 | 138 | empty |
| 2 | 591 | 0.79 | 0.84 | 90 | empty |
| 3 | 540 | 0.78 | 0.84 | 95 | empty |
| 4 | 263 | 0.70 | 0.85 | 48 | empty |
| 5 | 309 | 0.70 | 0.84 | 50 | empty |
Interfaces
89 interfaces between chains.
- P–T · 421 Ų buried · 3 hydrogen bonds · protein-protein
- I–M · 417 Ų buried · 3 hydrogen bonds · protein-protein
- F–J · 415 Ų buried · 3 hydrogen bonds · protein-protein
- B–F · 414 Ų buried · 3 hydrogen bonds · protein-protein
- Q–U · 410 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 75 disulfide (disulfide).
Compared structures
- 7OAG · Cryo-EM structure of the plectasin fibril (single strand) · the same entry in another collection · chain J against J, 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 Q53I06
- Elsewhere: RCSB PDB 7OAG · PDBe 7OAG · UniProt Q53I06
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