MolNFT v1 · #51019 · protein
Crystal structure of human STE20-like kinase bound to 4-(4-(5- cyclopropyl-1H-pyrazol-3-ylamino)-quinazolin-2-ylamino)-phenyl)- acetonitrile
2UV2 · STE20-like serine-threonine kinase: “Crystal structure of human STE20-like kinase bound to 4-(4-(5…”. X-ray diffraction, 2 ligands (GVD, SCN), 3 pockets (best druggability 0.57). MolNFT v1 #51019 on GenesisL1: 3D structure, binding…
- PDB
- 2UV2
- Type
- protein
- Length
- 286 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- STE20-like serine-threonine kinase
- EC
- 2.7.11.1
- UniProt
- Q9H2G2
- Ligands
- GVD, SCN
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | STE20-like serine-threonine kinase (EC 2.7.11.1) | protein | 286 | 40% helix, 19% strand | Q9H2G2 |
Ligands and binding sites
- GVD · [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile · ligand · chains A
- SCN · Thiocyanate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · 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 | 213 | 0.57 | 0.79 | 23 | SCN, GVD |
| 2 | 100 | 0.38 | 0.75 | 19 | empty |
| 3 | 55 | 0.34 | 0.78 | 14 | EDO |
Compared structures
- 2UV2 · Crystal Structure Of Human Ste20-Like Kinase Bound To 4-(4-(5… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H2G2 · AlphaFold monomer V2.0 prediction for STE20-like SERINE/THREONINE- protein kinase (Q9H2G2) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 Q9H2G2
- Elsewhere: RCSB PDB 2UV2 · PDBe 2UV2 · UniProt Q9H2G2
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