MolNFT v1 · #155240 · protein
Crystal structure of SER/THR kinase PIM1 in complex with 10-debc derivatives
6L17 · SERINE/THREONINE-protein kinase pim-1: “Crystal structure of SER/THR kinase PIM1 in complex with 10-debc derivatives”. X-ray diffraction, 1 ligand (E2X), 3 pockets (best druggability 0.63). MolNFT v1 #155240 on GenesisL1: 3D…
- PDB
- 6L17
- Type
- protein
- Length
- 273 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
- E2X
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1) | protein | 273 | 40% helix, 23% strand | P11309 |
Ligands and binding sites
- E2X · 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 205 | 0.63 | 0.83 | 29 | E2X |
| 2 | 107 | 0.51 | 0.82 | 22 | empty |
| 3 | 67 | 0.28 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 6L17 · Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives · 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 6L17 · PDBe 6L17 · UniProt P11309
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