MolNFT v1 · #60651 · protein
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II
3CY2 · Proto-oncogene SERINE/THREONINE-protein kinase pim-1…: “Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide…”. X-ray diffraction, 2 ligands (MB9, CL), 1 pocket (best…
- PDB
- 3CY2
- Type
- protein
- Length
- 280 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene SERINE/THREONINE-protein kinase pim-1, isoform 2; Pimtide peptide
- EC
- 2.7.11.1
- UniProt
- P11309
- Ligands
- MB9, CL
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene SERINE/THREONINE-protein kinase pim-1, isoform 2 (EC 2.7.11.1) | protein | 271 | 41% helix, 23% strand | P11309 |
| B | Pimtide peptide | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- MB9 · (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile · ligand · chains A
- CL · Chloride ion · ion · 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
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 | 470 | 0.71 | 0.81 | 50 | CL, MB9 |
Interfaces
1 interface between chains.
- A–B · 591 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3CY2 · Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with… · 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 3CY2 · PDBe 3CY2 · UniProt P11309
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