MolNFT v1 · #124352 · protein
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
5KCO: “SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy”. X-ray diffraction, 3 ligands (6RO, UNX, SO4). MolNFT v1 #124352 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5KCO
- Type
- protein
- Length
- 212 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q15047
- Ligands
- 6RO, UNX, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 212 | — | Q15047 |
Ligands and binding sites
- 6RO · ~{N}-(4-chlorophenyl)methanesulfonamide · ligand · chains A
- UNX · Unknown atom or ion · ion · 47 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5KCO · SETDB1 in complex with an early stage, low affinity fragment candidate modelled at… · the same entry in another collection · chain A against A, TM-score 1.00
- Q15047 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETDB1 (Q15047) · 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 Q15047
- Elsewhere: RCSB PDB 5KCO · PDBe 5KCO · UniProt Q15047
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