MolNFT v1 · #137621 · protein
PIM1 kinase in complex with a benzofuranone inhibitor
5VUA · SERINE/THREONINE-protein kinase pim-1: “PIM1 kinase in complex with a benzofuranone inhibitor”. X-ray diffraction, 2 ligands (8GX, PO4), 1 pocket (best druggability 0.66). MolNFT v1 #137621 on GenesisL1: 3D structure, binding sites…
- PDB
- 5VUA
- Type
- protein
- Length
- 270 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pim-1
- EC
- 2.7.11.1
- UniProt
- P11309
- Ligands
- 8GX, PO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1) | protein | 270 | 39% helix, 23% strand | P11309 |
Ligands and binding sites
- 8GX · (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one · ligand · chains B
- PO4 · Phosphate ion · ion · chains B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.66 | 0.80 | 43 | 8GX |
Compared structures
- 5VUA · Pim1 Kinase in complex with a benzofura inhibitor · the same entry in another collection · chain B against B, TM-score 1.00
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 P11309
- Elsewhere: RCSB PDB 5VUA · PDBe 5VUA · UniProt P11309
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