MolNFT v1 · #149856 · protein
Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier
6GCI: “Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier”. X-ray diffraction, 2 ligands (CDL, BKC), 3 pockets (best druggability 0.74). MolNFT v1 #149856 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6GCI
- Type
- protein
- Length
- 416 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitochondrial ADP/ATP carrier; Nanobody
- UniProt
- G2QNH0
- Ligands
- CDL, BKC
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitochondrial ADP/ATP carrier | protein | 292 | 82% helix, 0% strand | G2QNH0 |
| B | Nanobody | protein | 124 | 5% helix, 50% strand | — |
Ligands and binding sites
- CDL · Cardiolipin · ligand · 5 copies · chains A
- BKC · Bongkrekic acid · ligand · chains A
- P6G · Hexaethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 756 | 0.74 | 0.79 | 68 | BKC |
| 2 | 76 | 0.39 | 0.78 | 16 | empty |
| 3 | 71 | 0.29 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 596 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6GCI · Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier · the same entry in another collection · chain A against A, TM-score 1.00
- G2QNH0 · AlphaFold monomer V2.0 prediction for ADP/ATP translocase (G2QNH0) · a predicted model of the same protein · chain A against A, TM-score 0.60
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 G2QNH0
- Elsewhere: RCSB PDB 6GCI · PDBe 6GCI · UniProt G2QNH0
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