MolNFT v1 · #134484 · protein
Human SETD8 in complex with MS2177
5T5G · N-lysine methyltransferase KMT5A: “Human SETD8 in complex with MS2177”. X-ray diffraction, 2 ligands (75P, UNX), 1 pocket (best druggability 0.43). MolNFT v1 #134484 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5T5G
- Type
- protein
- Length
- 143 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-lysine methyltransferase KMT5A
- EC
- 2.1.1.-, 2.1.1.43
- UniProt
- Q9NQR1
- Ligands
- 75P, UNX
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-lysine methyltransferase KMT5A (EC 2.1.1.-, 2.1.1.43) | protein | 143 | 22% helix, 40% strand | Q9NQR1 |
Ligands and binding sites
- 75P · 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine · ligand · chains A
- UNX · Unknown atom or ion · ion · 6 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.43 | 0.81 | 17 | 75P |
Compared structures
- Q9NQR1 · AlphaFold monomer V2.0 prediction for N-lysine methyltransferase KMT5A (Q9NQR1) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 Q9NQR1
- Elsewhere: RCSB PDB 5T5G · PDBe 5T5G · UniProt Q9NQR1
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