MolNFT v2 · #220043 · protein
Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2
8SNO · Disintegrin and metalloproteinase domain-containing protein…: “Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2”. Electron microscopy at 2.78, 1 ligand (CA), 8 pockets (best druggability 0.77). MolNFT v2…
- PDB
- 8SNO
- Type
- protein
- Length
- 718 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.78
- Source
- Homo sapiens
- Molecule
- Disintegrin and metalloproteinase domain-containing protein 17; Inactive rhomboid protein…
- EC
- 3.4.24.86
- UniProt
- P78536, Q6PJF5
- Ligands
- CA
- Pockets
- 8 · best druggability 0.77
Structure
electron microscopy · resolution 2.78 · 2 distinct chains · 38% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Disintegrin and metalloproteinase domain-containing protein 17 (EC 3.4.24.86) | protein | 227 | 25% helix, 15% strand | P78536 |
| B | Inactive rhomboid protein 2 | protein | 491 | 44% helix, 11% strand | Q6PJF5 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 787 | 0.77 | 0.81 | 75 | empty |
| 2 | 514 | 0.75 | 0.83 | 73 | empty |
| 3 | 370 | 0.70 | 0.82 | 55 | empty |
| 4 | 283 | 0.49 | 0.73 | 37 | empty |
| 5 | 115 | 0.42 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2065 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 disulfide (disulfide).
Compared structures
- Q6PJF5 · AlphaFold monomer V2.0 prediction for inactive rhomboid protein 2 (Q6PJF5) · a predicted model of the same protein · chain B against A, TM-score 0.97
- P78536 · AlphaFold monomer V2.0 prediction for disintegrin and metalloproteinase domain-containing… · a predicted model of the same protein · chain A against A, TM-score 0.63
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 P78536
- Every structure of UniProt Q6PJF5
- Elsewhere: RCSB PDB 8SNO · PDBe 8SNO · UniProt P78536 · UniProt Q6PJF5
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