MolNFT v1 · #138139 · protein
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
5W9J · Spike glycoprotein: “MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #138139 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5W9J
- Type
- protein
- Length
- 4,257 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein; G4 vh; G4 vl
- UniProt
- W5ZZF5
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 4 distinct chains · 18% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, A, G | Spike glycoprotein | protein | 463 | 38% helix, 19% strand | W5ZZF5 |
| E, B, H | G4 vh | protein | 119 | 8% helix, 59% strand | — |
| F, C, I | G4 vl | protein | 111 | 3% helix, 48% strand | — |
| J, K, L | Spike glycoprotein | protein | 726 | 9% helix, 39% 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 | 1145 | 0.88 | 0.89 | 173 | empty |
| 2 | 1052 | 0.86 | 0.87 | 111 | empty |
| 3 | 959 | 0.86 | 0.87 | 109 | empty |
| 4 | 918 | 0.86 | 0.88 | 96 | empty |
| 5 | 1029 | 0.85 | 0.86 | 112 | empty |
Interfaces
21 interfaces between chains.
- G–J · 1908 Ų buried · 23 hydrogen bonds · protein-protein
- D–K · 1901 Ų buried · 23 hydrogen bonds · protein-protein
- A–L · 1900 Ų buried · 23 hydrogen bonds · protein-protein
- A–G · 1407 Ų buried · 19 hydrogen bonds · protein-protein
- D–G · 1407 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 54 disulfide (disulfide).
Compared structures
- 5W9J · MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4 · the same entry in another collection · chain D against D, 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 5W9J · PDBe 5W9J · UniProt W5ZZF5
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