MolNFT v1 · #106126 · protein
Co-crystal structure of PIM1 with compound 3
4RPV · SERINE/THREONINE-protein kinase pim-1: “Co-crystal structure of PIM1 with compound 3”. X-ray diffraction, 1 ligand (3UR), 2 pockets (best druggability 0.71). MolNFT v1 #106126 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4RPV
- Type
- protein
- Length
- 273 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
- 3UR
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1) | protein | 273 | 38% helix, 22% strand | P11309 |
Ligands and binding sites
- 3UR · (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.71 | 0.99 | 19 | empty |
| 2 | 368 | 0.67 | 0.81 | 47 | 3UR |
Compared structures
- 4RPV · co-crystal structure of Pim1 with compound 3 · the same entry in another collection · chain A against A, 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 4RPV · PDBe 4RPV · UniProt P11309
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