MolNFT v1 · #107318 · protein
CTBP1 in complex with substrate phenylpyruvate
4U6S · C-terminal-binding protein 1: “CTBP1 in complex with substrate phenylpyruvate”. X-ray diffraction, 3 ligands (NAD, PPY, CA), 2 pockets (best druggability 0.71). MolNFT v1 #107318 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4U6S
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C-terminal-binding protein 1
- EC
- 1.1.1.-
- UniProt
- Q13363
- Ligands
- NAD, PPY, CA
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | C-terminal-binding protein 1 (EC 1.1.1.-) | protein | 328 | 36% helix, 17% strand | Q13363 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- PPY · 3-phenylpyruvic acid · ligand · chains A
- CA · Calcium ion · metal · chains A
- FMT · Formic acid · additive · 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 | 416 | 0.71 | 0.82 | 47 | NAD, PPY |
| 2 | 74 | 0.34 | 0.76 | 14 | empty |
Compared structures
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 Q13363
- Elsewhere: RCSB PDB 4U6S · PDBe 4U6S · UniProt Q13363
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