Research workbench
CTBP/BARS in ternary complex with NAD(H) and pidlskk peptide
Analyse CTBP/BARS in ternary complex with NAD(H) and pidlskk peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HL3
- Type
- protein
- Length
- 338 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C-terminal binding protein 3; Pro-ile-asp-leu-ser-lys-lys peptide
- UniProt
- Q9Z2F5
- Ligands
- NAD
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | C-terminal binding protein 3 | protein | 331 | 35% helix, 15% strand | Q9Z2F5 |
| B | Pro-ile-asp-leu-ser-lys-lys peptide | protein | 7 | 0% helix, 29% strand | — |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 567 | 0.73 | 0.81 | 57 | NAD |
| 2 | 98 | 0.37 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 430 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1HL3 · CtBP/BARS in ternary complex with NAD(H) and PIDLSKK peptide · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Z2F5 · AlphaFold monomer V2.0 prediction for C-terminal-binding protein 1 (Q9Z2F5) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9Z2F5
- Elsewhere: RCSB PDB 1HL3 · PDBe 1HL3 · UniProt Q9Z2F5
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