MolNFT v1 · #90594 · protein
Crystal structure of pim-1 kinase in complex with (2E,5Z)-2-(2- chlorophenylimino)-5-(4-hydroxy-3-METHOXYBENZYLIDENE)THIAZOLIDIN-4- one
4ENY · SERINE/THREONINE-protein kinase pim-1: “Crystal structure of pim-1 kinase in complex with (2E,5Z)-2-(2…”. X-ray diffraction, 2 ligands (J19, PO4), 2 pockets (best druggability 0.65). MolNFT v1 #90594 on GenesisL1: 3D structure…
- PDB
- 4ENY
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pim-1
- EC
- 2.7.11.1
- UniProt
- P11309
- Ligands
- J19, PO4
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1) | protein | 261 | 40% helix, 22% strand | P11309 |
Ligands and binding sites
- J19 · (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 277 | 0.65 | 0.81 | 32 | GOL, J19 |
| 2 | 98 | 0.55 | 0.84 | 23 | empty |
Compared structures
- 4ENY · Crystal Structure of Pim-1 kinase 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 4ENY · PDBe 4ENY · UniProt P11309
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