MolNFT v1 · #30063 · protein
Structure-based evaluation of selective and non-selective small molecules that block HIV-1 tat and pcaf association
1ZS5 · Histone acetyltransferase pcaf: “Structure-based evaluation of selective and non-selective small molecules that block HIV-1 tat and pcaf…”. Solution nmr, 1 ligand (MIB), 1 pocket (best druggability 0.46). MolNFT v1 #30063 on…
- PDB
- 1ZS5
- Type
- protein
- Length
- 118 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase pcaf
- EC
- 2.3.1.48
- UniProt
- Q92831
- Ligands
- MIB
- Pockets
- 1 · best druggability 0.46
Structure
solution nmr · 1 distinct chain · 61% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase pcaf (EC 2.3.1.48) | protein | 118 | 61% helix, 0% strand | Q92831 |
Ligands and binding sites
- MIB · (3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one · ligand · 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 | 85 | 0.46 | 0.81 | 22 | MIB |
Compared structures
- 1ZS5 · Structure-based evaluation of selective and non-selective small molecules that block… · the same entry in another collection · chain A against A, TM-score 1.00
- Q92831 · AlphaFold monomer V2.0 prediction for histone acetyltransferase KAT2B (Q92831) · a predicted model of the same protein · chain A against A, TM-score 0.81
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 Q92831
- Elsewhere: RCSB PDB 1ZS5 · PDBe 1ZS5 · UniProt Q92831
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