Research workbench
Crystal structure of human pim-1 kinase in complex with a consensuspeptide and fragment like molekule 4,5-dibromothiophene-2- carbohydrazide
Analyse Crystal structure of human pim-1 kinase in complex with a consensuspeptide and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5N4X
- Type
- protein
- Length
- 280 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pim-1; Pimtide
- EC
- 2.7.11.1
- UniProt
- P11309
- Ligands
- 8MT
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1) | protein | 272 | 40% helix, 23% strand | P11309 |
| B | Pimtide | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
- 8MT · 4,5-bis(bromanyl)thiophene-2-carbohydrazide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.69 | 0.82 | 52 | 8MT |
| 2 | 50 | 0.30 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 581 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5N4X · Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment… · 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 5N4X · PDBe 5N4X · UniProt P11309
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.