Research workbench
CTBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
Analyse CTBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U6Q
- 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
- NAI, 3CR, CA
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | C-terminal-binding protein 1 (EC 1.1.1.-) | protein | 328 | 36% helix, 18% strand | Q13363 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
- 3CR · (2E)-2-(hydroxyimino)-3-phenylpropanoic 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 | 432 | 0.72 | 0.83 | 49 | NAI, 3CR |
| 2 | 72 | 0.33 | 0.76 | 13 | empty |
Compared structures
- 4U6Q · CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid · the same entry in another collection · chain A against A, TM-score 1.00
- Q13363 · AlphaFold monomer V2.0 prediction for C-terminal-binding protein 1 (Q13363) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 4U6Q · PDBe 4U6Q · UniProt Q13363
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