Research workbench
Crystal structure of inhibitor tmc-353121 in complex with prefusion rsv F glycoprotein
Analyse Crystal structure of inhibitor tmc-353121 in complex with prefusion rsv F… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5EA5
- Type
- protein
- Length
- 426 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion glycoprotein F0
- UniProt
- P03420
- Ligands
- TM3, SO4
- Pockets
- 2 · best druggability 0.29
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Fusion glycoprotein F0 | protein | 426 | 30% helix, 35% strand | P03420 |
Ligands and binding sites
- TM3 · 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol · ligand · chains F
- SO4 · Sulfate ion · ion · chains F
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains F
- TAR · D(-)-tartaric acid · additive · chains F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.29 | 0.75 | 14 | empty |
| 2 | 50 | 0.27 | 0.75 | 13 | empty |
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 5EA5 · Crystal Structure of Inhibitor TMC-353121 in Complex with Prefusion RSV F Glycoprotein · the same entry in another collection · chain F against F, 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 P03420
- Elsewhere: RCSB PDB 5EA5 · PDBe 5EA5 · UniProt P03420
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