MolNFT v1 · #191460 · protein
SARS-cov-2 wuhan-hu-1-spike-rbd bound to linker variant of affinity matured ACE2 mimetic CVD432
8DV1 · Spike glycoprotein: “SARS-cov-2 wuhan-hu-1-spike-rbd bound to linker variant of affinity matured ACE2 mimetic CVD432”. Electron microscopy, 7 pockets (best druggability 0.66). MolNFT v1 #191460 on GenesisL1: 3D structure, binding…
- PDB
- 8DV1
- Type
- protein
- Length
- 796 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike glycoprotein; Angiotensin-converting enzyme 2,IMMUNOGLOBULIN gamma-1 heavy chain…
- EC
- 3.4.17.23, 3.4.17.-
- UniProt
- P0DTC2, Q9BYF1
- Pockets
- 7 · best druggability 0.66
Structure
electron microscopy · 2 distinct chains · 49% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spike glycoprotein | protein | 201 | 14% helix, 27% strand | P0DTC2 |
| D | Angiotensin-converting enzyme 2,IMMUNOGLOBULIN gamma-1 heavy chain fusion (EC 3.4.17.23, 3.4.17.-) | protein | 595 | 61% helix, 4% strand | Q9BYF1 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 354 | 0.66 | 0.81 | 34 | empty |
| 2 | 357 | 0.65 | 0.80 | 34 | empty |
| 3 | 348 | 0.61 | 0.78 | 37 | empty |
| 4 | 150 | 0.46 | 0.77 | 31 | empty |
| 5 | 71 | 0.34 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–D · 880 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 8DV1 · SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic… · the same entry in another collection · chain D against D, TM-score 1.00
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
- 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
- 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
- 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.98
- 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.98
- Q9BYF1 · AlphaFold monomer V2.0 prediction for angiotensin-converting enzyme 2 (Q9BYF1) · a predicted model of the same protein · chain D against A, TM-score 0.98
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 P0DTC2
- Every structure of UniProt Q9BYF1
- Elsewhere: RCSB PDB 8DV1 · PDBe 8DV1 · UniProt P0DTC2 · UniProt Q9BYF1
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