MolNFT v1 · #1856 · protein
Human phosphatidylethanolamine binding protein in complex with cacodylate
1BEH: “Human phosphatidylethanolamine binding protein in complex with cacodylate”. X-ray diffraction, 5 pockets (best druggability 0.43). MolNFT v1 #1856 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1BEH
- Type
- protein
- Length
- 367 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylethanolamine binding protein
- UniProt
- P30086
- Pockets
- 5 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylethanolamine binding protein | protein | 184 | 13% helix, 29% strand | P30086 |
| B | Phosphatidylethanolamine binding protein | protein | 183 | 14% helix, 28% strand | P30086 |
Ligands and binding sites
- CAC · Cacodylate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.43 | 0.82 | 22 | empty |
| 2 | 72 | 0.42 | 0.80 | 20 | empty |
| 3 | 107 | 0.40 | 0.76 | 18 | empty |
| 4 | 75 | 0.37 | 0.78 | 25 | empty |
| 5 | 63 | 0.32 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 647 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1BEH · Human phosphatidylethanolamine binding protein in complex with cacodylate · the same entry in another collection · chain A against A, TM-score 1.00
- P30086 · AlphaFold monomer V2.0 prediction for phosphatidylethanolamine- binding protein 1 (P30086) · a predicted model of the same protein · 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 P30086
- Elsewhere: RCSB PDB 1BEH · PDBe 1BEH · UniProt P30086
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