MolNFT v1 · #87715 · protein
Structure of yeast mitochondrial ADP/ATP carrier isoform 2 inhibited by carboxyatractyloside (C2221 crystal form)
4C9G · ADP, ATP carrier protein 2: “Structure of yeast mitochondrial ADP/ATP carrier isoform 2 inhibited by carboxyatractyloside (C2221 crystal…”. X-ray diffraction, 3 ligands (CDL, CXT, BNG), 1 pocket (best druggability 0.74). MolNFT v1…
- PDB
- 4C9G
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADP, ATP carrier protein 2
- UniProt
- P18239
- Ligands
- CDL, CXT, BNG
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP, ATP carrier protein 2 | protein | 265 | 79% helix, 0% strand | P18239 |
Ligands and binding sites
- CDL · Cardiolipin · ligand · 3 copies · chains A
- CXT · Carboxyatractyloside · ligand · chains A
- BNG · nonyl beta-D-glucopyranoside · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.74 | 0.78 | 62 | CXT |
Compared structures
- 4C9G · Structure of yeast mitochondrial ADP/ATP carrier isoform 2 inhibited by… · the same entry in another collection · chain A against A, TM-score 1.00
- P18239 · AlphaFold monomer V2.0 prediction for ADP,ATP carrier protein 2 (P18239) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P18239
- Elsewhere: RCSB PDB 4C9G · PDBe 4C9G · UniProt P18239
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