MolNFT v1 · #144304 · protein
Crystal structure of SETDB1 tudor domain with aryl triazole fragment peptide conjugates
6BPI: “Crystal structure of SETDB1 tudor domain with aryl triazole fragment peptide conjugates”. X-ray diffraction, 3 ligands (E2G, SO4, UNX). MolNFT v1 #144304 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BPI
- Type
- protein
- Length
- 209 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q15047
- Ligands
- E2G, SO4, UNX
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 206 | — | Q15047 |
| B | — | protein | 3 | — | — |
Ligands and binding sites
- E2G · (2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide · ligand · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- UNX · Unknown atom or ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6BPI · Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates · 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 6BPI · PDBe 6BPI · UniProt Q15047
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