MolNFT v1 · #48222 · protein
Crystal structure of PFPK7 in complex with hymenialdisine
2PMO · SER/THR protein kinase: “Crystal structure of PFPK7 in complex with hymenialdisine”. X-ray diffraction, 1 ligand (HMD), 4 pockets (best druggability 0.69). MolNFT v1 #48222 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2PMO
- Type
- protein
- Length
- 340 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SER/THR protein kinase
- UniProt
- Q7YTF7
- Ligands
- HMD
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | SER/THR protein kinase | protein | 340 | 34% helix, 22% strand | Q7YTF7 |
Ligands and binding sites
- HMD · 4-(5-amino-4-oxo-4H-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3AH-pyrrolo[2,3-c]azepin-8-one · ligand · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 475 | 0.69 | 0.80 | 54 | HMD |
| 2 | 177 | 0.42 | 0.73 | 20 | empty |
| 3 | 78 | 0.39 | 0.78 | 16 | empty |
| 4 | 67 | 0.36 | 0.77 | 12 | empty |
Compared structures
- 2PMO · Crystal structure of PfPK7 in complex with hymenialdisine · the same entry in another collection · chain X against X, 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 Q7YTF7
- Elsewhere: RCSB PDB 2PMO · PDBe 2PMO · UniProt Q7YTF7
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