MolNFT v1 · #102281 · protein
Crystal structure of BRI1 in complex with BKI1
4OH4 · Protein brassinosteroid insensitive 1: “Crystal structure of BRI1 in complex with BKI1”. X-ray diffraction, 1 ligand (ANP), 7 pockets (best druggability 0.77). MolNFT v1 #102281 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4OH4
- Type
- protein
- Length
- 628 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein brassinosteroid insensitive 1; BRI1 kinase inhibitor 1
- EC
- 2.7.10.1, 2.7.11.1
- UniProt
- O22476, Q9FMZ0
- Ligands
- ANP
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein brassinosteroid insensitive 1 (EC 2.7.10.1, 2.7.11.1) | protein | 303 | 42% helix, 17% strand | O22476 |
| B | Protein brassinosteroid insensitive 1 (EC 2.7.10.1, 2.7.11.1) | protein | 293 | 40% helix, 16% strand | O22476 |
| F, E | BRI1 kinase inhibitor 1 | protein | 16 | 88% helix, 0% strand | Q9FMZ0 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1070 | 0.77 | 0.79 | 106 | ANP |
| 2 | 282 | 0.65 | 0.81 | 31 | ANP |
| 3 | 59 | 0.43 | 0.82 | 15 | empty |
| 4 | 54 | 0.37 | 0.79 | 12 | empty |
| 5 | 87 | 0.35 | 0.75 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–F · 640 Ų buried · 1 hydrogen bond · protein-protein
- A–E · 606 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 456 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (phosphorylation).
Compared structures
- 4OH4 · Crystal structure of BRI1 in complex with BKI1 · the same entry in another collection · chain E against E, TM-score 1.00
- O22476 · AlphaFold monomer V2.0 prediction for protein brassinosteroid insensitive 1 (O22476) · a predicted model of the same protein · chain B against A, TM-score 0.96
- Q9FMZ0 · AlphaFold monomer V2.0 prediction for BRI1 kinase inhibitor 1 (Q9FMZ0) · a predicted model of the same protein · chain E against A, TM-score 0.77
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 O22476
- Every structure of UniProt Q9FMZ0
- Elsewhere: RCSB PDB 4OH4 · PDBe 4OH4 · UniProt O22476 · UniProt Q9FMZ0
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