MolNFT v1 · #102908 · protein
Crystal structure of hoip pub domain in complex with P97 pim
4P0A · E3 ubiquitin-protein ligase RNF31: “Crystal structure of hoip pub domain in complex with P97 pim”. X-ray diffraction, 5 pockets (best druggability 0.72). MolNFT v1 #102908 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4P0A
- Type
- protein
- Length
- 350 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 ubiquitin-protein ligase RNF31; Transitional endoplasmic reticulum ATPase
- EC
- 6.3.2.-
- UniProt
- Q96EP0, P55072
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 58% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase RNF31 (EC 6.3.2.-) | protein | 174 | 58% helix, 5% strand | Q96EP0 |
| B, D | Transitional endoplasmic reticulum ATPase | protein | 4 | 0% helix, 0% strand | P55072 |
| C | E3 ubiquitin-protein ligase RNF31 (EC 6.3.2.-) | protein | 168 | 60% helix, 3% strand | Q96EP0 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 650 | 0.72 | 0.79 | 60 | empty |
| 2 | 136 | 0.50 | 0.79 | 27 | empty |
| 3 | 125 | 0.47 | 0.78 | 26 | empty |
| 4 | 62 | 0.37 | 0.79 | 15 | empty |
| 5 | 73 | 0.36 | 0.77 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–C · 777 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 353 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 348 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4P0A · Crystal structure of HOIP PUB domain in complex with p97 PIM · the same entry in another collection · chain A against A, TM-score 1.00
- Q96EP0 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase RNF31 (Q96EP0) · a predicted model of the same protein · chain A 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 Q96EP0
- Every structure of UniProt P55072
- Elsewhere: RCSB PDB 4P0A · PDBe 4P0A · UniProt Q96EP0 · UniProt P55072
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