Research workbench
Crystal structure of HIPK2 in complex with MU135 (compound 21E)
Analyse Crystal structure of HIPK2 in complex with MU135 (compound 21E) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NCF
- Type
- protein
- Length
- 355 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homeodomain-interacting protein kinase 2
- EC
- 2.7.11.1
- UniProt
- Q9H2X6
- Ligands
- U82
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Homeodomain-interacting protein kinase 2 (EC 2.7.11.1) | protein | 355 | 39% helix, 17% strand | Q9H2X6 |
Ligands and binding sites
- U82 · 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine · 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 | 267 | 0.63 | 0.81 | 37 | U82 |
| 2 | 72 | 0.39 | 0.78 | 14 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7NCF · Crystal structure of HIPK2 in complex with MU135 (compound 21e) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H2X6 · AlphaFold monomer V2.0 prediction for homeodomain-interacting protein kinase 2 (Q9H2X6) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9H2X6
- Elsewhere: RCSB PDB 7NCF · PDBe 7NCF · UniProt Q9H2X6
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