MolNFT v1 · #93228 · protein
Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and leucettine L41
4GW8 · SERINE/THREONINE-protein kinase pim-1: “Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and leucettine L41”. X-ray diffraction, 1 ligand (3RA), 3 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 4GW8
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pim-1; Consensus peptide (pimtide)
- EC
- 2.7.11.1
- UniProt
- P11309
- Ligands
- 3RA
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 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 | 39% helix, 23% strand | P11309 |
| B | Consensus peptide (pimtide) | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- 3RA · 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.73 | 0.99 | 21 | empty |
| 2 | 356 | 0.72 | 0.84 | 48 | 3RA |
| 3 | 52 | 0.26 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 623 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4GW8 · Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide… · 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 4GW8 · PDBe 4GW8 · UniProt P11309
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