MolNFT v1 · #143779 · protein
Crystal structure of UHRF1 ttd domain in complex with the polybasic region
6B9M · E3 ubiquitin-protein ligase UHRF1: “Crystal structure of UHRF1 ttd domain in complex with the polybasic region”. X-ray diffraction, 4 pockets (best druggability 0.56). MolNFT v1 #143779 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6B9M
- Type
- protein
- Length
- 465 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 ubiquitin-protein ligase UHRF1
- EC
- 2.3.2.27
- UniProt
- E7EZF3, Q96T88
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase UHRF1 (EC 2.3.2.27) | protein | 150 | 6% helix, 46% strand | E7EZF3 |
| B | E3 ubiquitin-protein ligase UHRF1 (EC 2.3.2.27) | protein | 148 | 6% helix, 47% strand | E7EZF3 |
| C | E3 ubiquitin-protein ligase UHRF1 (EC 2.3.2.27) | protein | 150 | 6% helix, 44% strand | E7EZF3 |
| D | E3 ubiquitin-protein ligase UHRF1 (EC 2.3.2.27) | protein | 17 | 0% helix, 0% strand | Q96T88 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 178 | 0.56 | 0.81 | 32 | empty |
| 2 | 166 | 0.46 | 0.75 | 32 | empty |
| 3 | 76 | 0.41 | 0.79 | 16 | empty |
| 4 | 53 | 0.24 | 0.72 | 12 | empty |
Interfaces
4 interfaces between chains.
- A–D · 814 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 471 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 377 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 229 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6B9M · Crystal structure of UHRF1 TTD domain in complex with the polybasic region · the same entry in another collection · chain A against A, TM-score 1.00
- E7EZF3 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase UHRF1 (E7EZF3) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 E7EZF3
- Every structure of UniProt Q96T88
- Elsewhere: RCSB PDB 6B9M · PDBe 6B9M · UniProt E7EZF3 · UniProt Q96T88
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