MolNFT v1 · #47543 · protein
Mechanism of auxin perception by the TIR1 ubiquitin ligase
2P1Q · SKP1-like protein 1A: “Mechanism of auxin perception by the TIR1 ubiquitin ligase”. X-ray diffraction, 2 ligands (IHP, IAC), 5 pockets (best druggability 0.77). MolNFT v1 #47543 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2P1Q
- Type
- protein
- Length
- 705 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SKP1-like protein 1A; Transport inhibitor response 1 protein; Auxin-responsive protein…
- UniProt
- Q39255, Q570C0, Q38825
- Ligands
- IHP, IAC
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SKP1-like protein 1A | protein | 124 | 57% helix, 8% strand | Q39255 |
| B | Transport inhibitor response 1 protein | protein | 568 | 37% helix, 19% strand | Q570C0 |
| C | Auxin-responsive protein IAA7 | protein | 13 | 0% helix, 0% strand | Q38825 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · chains B
- IAC · 1H-indol-3-ylacetic acid · ligand · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 869 | 0.77 | 0.80 | 89 | IHP |
| 2 | 78 | 0.72 | 0.96 | 22 | IAC |
| 3 | 87 | 0.41 | 0.78 | 16 | empty |
| 4 | 57 | 0.40 | 0.82 | 16 | empty |
| 5 | 63 | 0.32 | 0.76 | 12 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1722 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 684 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2P1Q · Mechanism of Auxin Perception by the TIR1 ubiquitin ligase · the same entry in another collection · chain A against A, TM-score 1.00
- Q570C0 · AlphaFold monomer V2.0 prediction for protein transport inhibitor response 1 (Q570C0) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q39255 · AlphaFold monomer V2.0 prediction for SKP1-like protein 1A (Q39255) · a predicted model of the same protein · chain A against A, TM-score 0.91
- Q38825 · AlphaFold monomer V2.0 prediction for auxin-responsive protein IAA7 (Q38825) · a predicted model of the same protein · chain C against A, TM-score 0.31
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 Q39255
- Every structure of UniProt Q570C0
- Every structure of UniProt Q38825
- Elsewhere: RCSB PDB 2P1Q · PDBe 2P1Q · UniProt Q39255 · UniProt Q570C0 · UniProt Q38825
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