MolNFT v1 · #138141 · protein
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
5W9L · Spike glycoprotein: “MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4”. Electron microscopy, 20 pockets (best druggability 0.87). MolNFT v1 #138141 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5W9L
- Type
- protein
- Length
- 4,020 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein; G4 vh; G4 vl
- UniProt
- W5ZZF5
- Pockets
- 20 · best druggability 0.87
Structure
electron microscopy · 5 distinct chains · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spike glycoprotein | protein | 456 | 40% helix, 19% strand | W5ZZF5 |
| D, G | Spike glycoprotein | protein | 463 | 40% helix, 19% strand | W5ZZF5 |
| E, H | G4 vh | protein | 119 | 8% helix, 57% strand | — |
| F, I | G4 vl | protein | 111 | 3% helix, 45% strand | — |
| B, C, J | Spike glycoprotein | protein | 726 | 11% helix, 37% strand | W5ZZF5 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1006 | 0.87 | 0.88 | 120 | empty |
| 2 | 864 | 0.87 | 0.89 | 112 | empty |
| 3 | 773 | 0.87 | 0.90 | 92 | empty |
| 4 | 158 | 0.82 | 0.97 | 26 | empty |
| 5 | 829 | 0.80 | 0.83 | 102 | empty |
Interfaces
18 interfaces between chains.
- G–C · 2034 Ų buried · 24 hydrogen bonds · protein-protein
- A–J · 1984 Ų buried · 25 hydrogen bonds · protein-protein
- D–B · 1657 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 1499 Ų buried · 20 hydrogen bonds · protein-protein
- D–G · 1498 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 55 disulfide (disulfide).
Compared structures
- 5W9L · MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4 · 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
- Every structure of UniProt W5ZZF5
- Elsewhere: RCSB PDB 5W9L · PDBe 5W9L · UniProt W5ZZF5
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