MolNFT v1 · #46893 · protein
Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole
2OI4 · Proto-oncogene SERINE/THREONINE-protein kinase pim-1: “Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole”. X-ray diffraction, 2 ligands (JM1, CL), 1 pocket (best druggability 0.70). MolNFT v1…
- PDB
- 2OI4
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene SERINE/THREONINE-protein kinase pim-1
- EC
- 2.7.11.1
- UniProt
- P11309
- Ligands
- JM1, CL
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Proto-oncogene SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1) | protein | 275 | 39% helix, 22% strand | P11309 |
Ligands and binding sites
- JM1 · Fluorinated pyridocarbazole cyclopentadienyl ru(co) complex · ligand · chains X
- CL · Chloride ion · ion · chains X
- EDO · 1,2-ethanediol · additive · 3 copies · chains X
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains X
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 | 374 | 0.70 | 0.82 | 44 | JM1, EPE |
Compared structures
- 2OI4 · Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole · the same entry in another collection · chain X against X, 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 2OI4 · PDBe 2OI4 · UniProt P11309
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