Research workbench
Structure of yeast mitochondrial ADP/ATP carrier isoform 3 inhibited by carboxyatractyloside (P212121 crystal form)
Analyse Structure of yeast mitochondrial ADP/ATP carrier isoform 3 inhibited by… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C9J
- Type
- protein
- Length
- 544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADP, ATP carrier protein 3
- UniProt
- P18238
- Ligands
- CDL, CXT
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP, ATP carrier protein 3 | protein | 277 | 77% helix, 0% strand | P18238 |
| B | ADP, ATP carrier protein 3 | protein | 267 | 77% helix, 0% strand | P18238 |
Ligands and binding sites
- CDL · Cardiolipin · ligand · 6 copies · chains A, B
- CXT · Carboxyatractyloside · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 955 | 0.75 | 0.78 | 58 | CXT |
| 2 | 812 | 0.73 | 0.78 | 53 | CXT |
| 3 | 217 | 0.45 | 0.72 | 28 | CDL |
| 4 | 167 | 0.44 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 256 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4C9J · Structure of yeast mitochondrial ADP/ATP carrier isoform 3 inhibited by… · the same entry in another collection · chain A against A, TM-score 1.00
- P18238 · AlphaFold monomer V2.0 prediction for ADP,ATP carrier protein 3 (P18238) · 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 P18238
- Elsewhere: RCSB PDB 4C9J · PDBe 4C9J · UniProt P18238
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