MolNFT v1 · #109939 · protein
PIM1 kinase in complex with compound 1S
4XHK · SERINE/THREONINE-protein kinase pim-1: “PIM1 kinase in complex with compound 1S”. X-ray diffraction, 1 ligand (3YR), 1 pocket (best druggability 0.70). MolNFT v1 #109939 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XHK
- 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
- 3YR
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% 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 | 41% helix, 23% strand | P11309 |
Ligands and binding sites
- 3YR · 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide · ligand · 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 | 360 | 0.70 | 0.82 | 50 | 3YR |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 4XHK · PIM1 kinase in complex with Compound 1s · 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 4XHK · PDBe 4XHK · UniProt P11309
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