MolNFT v1 · #89862 · protein
X-ray crystal structure of the transmembrane beta-domain from intimin from ehec strain O157:H7
4E1S: “X-ray crystal structure of the transmembrane beta-domain from intimin from ehec strain O157:H7”. X-ray diffraction, 2 ligands (OLB, CL), 2 pockets (best druggability 0.86). MolNFT v1 #89862 on GenesisL1: 3D structure, binding sites…
- PDB
- 4E1S
- Type
- protein
- Length
- 242 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intimin
- UniProt
- P43261
- Ligands
- OLB, CL
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Intimin | protein | 242 | 6% helix, 61% strand | P43261 |
Ligands and binding sites
- OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 10 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 495 | 0.86 | 0.93 | 48 | CL |
| 2 | 52 | 0.67 | 0.96 | 16 | empty |
Compared structures
- 4E1S · X-ray crystal structure of the transmembrane beta-domain from intimin from EHEC strain… · the same entry in another collection · chain A against A, TM-score 1.00
- P43261 · AlphaFold monomer V2.0 prediction for intimin (P43261) · 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 P43261
- Elsewhere: RCSB PDB 4E1S · PDBe 4E1S · UniProt P43261
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.