MolNFT v1 · #94292 · protein
Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- ktd)
4HSG · PRMT3 protein: “Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- ktd)”. X-ray diffraction, 2 ligands (KTD, UNX), 2 pockets (best druggability 0.59). MolNFT v1 #94292 on GenesisL1: 3D structure…
- PDB
- 4HSG
- Type
- protein
- Length
- 298 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PRMT3 protein
- UniProt
- Q8WUV3
- Ligands
- KTD, UNX
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PRMT3 protein | protein | 298 | 27% helix, 39% strand | Q8WUV3 |
Ligands and binding sites
- KTD · 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea · ligand · chains A
- UNX · Unknown atom or ion · ion · 17 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.59 | 0.79 | 37 | UNX |
| 2 | 66 | 0.55 | 0.87 | 13 | KTD |
Compared structures
- 4HSG · Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) · 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 Q8WUV3
- Elsewhere: RCSB PDB 4HSG · PDBe 4HSG · UniProt Q8WUV3
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