MolNFT v1 · #39577 · protein
PAK1 complex with ST2001
2HY8 · SERINE/THREONINE-protein kinase pak 1: “PAK1 complex with ST2001”. X-ray diffraction, 1 ligand (1ST), 2 pockets (best druggability 0.67). MolNFT v1 #39577 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HY8
- Type
- protein
- Length
- 293 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pak 1
- EC
- 2.7.11.1
- UniProt
- Q13153
- Ligands
- 1ST
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 1 | SERINE/THREONINE-protein kinase pak 1 (EC 2.7.11.1) | protein | 293 | 43% helix, 19% strand | Q13153 |
Ligands and binding sites
- 1ST · (5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4B,9A,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one · ligand · chains 1
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 | 346 | 0.67 | 0.81 | 42 | 1ST |
| 2 | 63 | 0.40 | 0.80 | 14 | empty |
Compared structures
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 Q13153
- Elsewhere: RCSB PDB 2HY8 · PDBe 2HY8 · UniProt Q13153
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