MolNFT v1 · #124478 · protein
Crystal structure of PIM1 with inhibitor: 2-(5-chloranyl-1~{H}-indol- 3-YL)ETHANAMINE
5KGG · SERINE/THREONINE-protein kinase pim-1: “Crystal structure of PIM1 with inhibitor: 2-(5-chloranyl-1~{H}-indol- 3-YL)ETHANAMINE”. X-ray diffraction, 3 ligands (6SO, SO4, CL), 1 pocket (best druggability 0.69). MolNFT v1 #124478 on…
- PDB
- 5KGG
- 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
- 6SO, SO4, CL
- Pockets
- 1 · best druggability 0.69
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
- 6SO · 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 21 copies · 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 | 334 | 0.69 | 0.82 | 47 | CL, EDO, 6SO |
Compared structures
- 5KGG · Crystal structure of PIM1 with inhibitor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine · 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 5KGG · PDBe 5KGG · UniProt P11309
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