MolNFT v1 · #54243 · protein
Protein kinase pim-1 in complex with fragment-2 from crystallographic fragment screen
2XIY · Proto-oncogene SERINE/THREONINE protein kinase pim-1: “Protein kinase pim-1 in complex with fragment-2 from crystallographic fragment screen”. X-ray diffraction, 2 ligands (XIY, CL), 1 pocket (best druggability 0.65). MolNFT v1…
- PDB
- 2XIY
- Type
- protein
- Length
- 274 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
- 2.7.1.37, 2.7.11.1
- UniProt
- P11309
- Ligands
- XIY, CL
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene SERINE/THREONINE protein kinase pim-1 (EC 2.7.1.37, 2.7.11.1) | protein | 274 | 40% helix, 23% strand | P11309 |
Ligands and binding sites
- XIY · 2-hydroxymethyl-benzoimidazole · ligand · chains A
- CL · Chloride 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
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 | 293 | 0.65 | 0.81 | 43 | XIY, CL, GOL |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 2XIY · Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen · 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 2XIY · PDBe 2XIY · UniProt P11309
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