MolNFT v1 · #103986 · protein
Syk catalytic domain in complex with a potent pyridopyrimidinone inhibitor
4PX6 · Tyrosine-protein kinase syk: “Syk catalytic domain in complex with a potent pyridopyrimidinone inhibitor”. X-ray diffraction, 1 ligand (2X6), 2 pockets (best druggability 0.62). MolNFT v1 #103986 on GenesisL1: 3D structure, binding…
- PDB
- 4PX6
- Type
- protein
- Length
- 262 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase syk
- EC
- 2.7.10.2
- UniProt
- P43405
- Ligands
- 2X6
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase syk (EC 2.7.10.2) | protein | 262 | 42% helix, 23% strand | P43405 |
Ligands and binding sites
- 2X6 · 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.62 | 0.79 | 33 | 2X6 |
| 2 | 54 | 0.27 | 0.74 | 14 | empty |
Compared structures
- 4PX6 · SYK catalytic domain in complex with a potent pyridopyrimidi inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P43405 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase syk (P43405) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P43405
- Elsewhere: RCSB PDB 4PX6 · PDBe 4PX6 · UniProt P43405
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