MolNFT v1 · #31061 · protein
Beta-cinnamomin in complex with ergosterol
2AIB · Beta-elicitin cinnamomin: “Beta-cinnamomin in complex with ergosterol”. X-ray diffraction, 1 ligand (ERG), 3 pockets (best druggability 0.89). MolNFT v1 #31061 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2AIB
- Type
- protein
- Length
- 196 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-elicitin cinnamomin
- UniProt
- P15569
- Ligands
- ERG
- Pockets
- 3 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-elicitin cinnamomin | protein | 98 | 61% helix, 7% strand | P15569 |
Ligands and binding sites
- ERG · Ergosterol · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
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 | 664 | 0.89 | 0.93 | 61 | ERG |
| 2 | 66 | 0.33 | 0.76 | 16 | empty |
| 3 | 51 | 0.24 | 0.72 | 14 | MES |
Interfaces
1 interface between chains.
- A–B · 418 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
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 P15569
- Elsewhere: RCSB PDB 2AIB · PDBe 2AIB · UniProt P15569
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