MolNFT v1 · #109160 · protein
Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340
4WUA · Srsf protein kinase 1, linker, srsf protein kinase 1: “Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340”. X-ray diffraction, 1 ligand (3UL), 3 pockets (best druggability 0.69). MolNFT v1 #109160 on GenesisL1: 3D…
- PDB
- 4WUA
- Type
- protein
- Length
- 344 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Srsf protein kinase 1, linker, srsf protein kinase 1
- EC
- 2.7.11.1
- UniProt
- Q96SB4
- Ligands
- 3UL
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Srsf protein kinase 1, linker, srsf protein kinase 1 (EC 2.7.11.1) | protein | 344 | 46% helix, 17% strand | Q96SB4 |
Ligands and binding sites
- 3UL · N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide · ligand · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 515 | 0.69 | 0.79 | 57 | 3UL |
| 2 | 75 | 0.30 | 0.73 | 20 | empty |
| 3 | 56 | 0.28 | 0.75 | 17 | empty |
Compared structures
- 4WUA · Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340 · the same entry in another collection · chain A against A, TM-score 1.00
- Q96SB4 · AlphaFold monomer V2.0 prediction for srsf protein kinase 1 (Q96SB4) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q96SB4
- Elsewhere: RCSB PDB 4WUA · PDBe 4WUA · UniProt Q96SB4
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