MolNFT v1 · #94706 · protein
Bel beta-trefoil apo crystal form 2
4I4P · Bel-beta trefoil: “Bel beta-trefoil apo crystal form 2”. X-ray diffraction, 1 pocket (best druggability 0.76). MolNFT v1 #94706 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4I4P
- Type
- protein
- Length
- 292 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bel-beta trefoil
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bel-beta trefoil | protein | 146 | 8% helix, 38% strand | — |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.76 | 0.93 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 844 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4I4P · BEL beta-trefoil apo crystal form 2 · 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
- Elsewhere: RCSB PDB 4I4P · PDBe 4I4P
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