MolNFT v1 · #32747 · protein
Crystal structure of the human PIM1 in complex with a ruthenium organometallic ligand RU3
2BZJ · Proto-oncogene serine threonine protein kinase PIM1: “Crystal structure of the human PIM1 in complex with a ruthenium organometallic ligand RU3”. X-ray diffraction, 1 ligand (ME3), 1 pocket (best druggability 0.70). MolNFT v1 #32747…
- PDB
- 2BZJ
- Type
- protein
- Length
- 273 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene serine threonine protein kinase PIM1
- EC
- 2.7.1.37
- UniProt
- P11309
- Ligands
- ME3
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene serine threonine protein kinase PIM1 (EC 2.7.1.37) | protein | 273 | 39% helix, 24% strand | P11309 |
Ligands and binding sites
- ME3 · Ruthenium-pyridocarbazole-3 · ligand · chains A
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 | 399 | 0.70 | 0.82 | 48 | ME3 |
Compared structures
- 2BZJ · Crystal structure of the human PIM1 in complex with a ruthenium organometallic ligand RU3 · 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 2BZJ · PDBe 2BZJ · UniProt P11309
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