MolNFT v1 · #7552 · protein
Characterization of the twinning structure of MJ1267, an ATP-binding cassette of an ABC transporter
1G9X · High-affinity branched-chain amino acid transport ATP…: “Characterization of the twinning structure of MJ1267, an ATP-binding cassette of an ABC transporter”. X-ray diffraction, 3 ligands (MMC, ADP, MG), 8 pockets (best druggability…
- PDB
- 1G9X
- Type
- protein
- Length
- 759 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- High-affinity branched-chain amino acid transport ATP- binding protein
- UniProt
- Q58663
- Ligands
- MMC, ADP, MG
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | High-affinity branched-chain amino acid transport ATP- binding protein | protein | 253 | 31% helix, 23% strand | Q58663 |
Ligands and binding sites
- MMC · Methyl mercury ion · ligand · 3 copies · chains A, B, C
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.73 | 0.98 | 25 | empty |
| 2 | 243 | 0.49 | 0.74 | 38 | empty |
| 3 | 55 | 0.40 | 0.81 | 12 | empty |
| 4 | 96 | 0.39 | 0.76 | 11 | empty |
| 5 | 53 | 0.35 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 192 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1G9X · Characterization of the twinning structure of MJ1267, an ATP-binding cassette of an ABC… · the same entry in another collection · chain A against A, TM-score 1.00
- Q58663 · AlphaFold monomer V2.0 prediction for probable branched-chain amino acid transport… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q58663
- Elsewhere: RCSB PDB 1G9X · PDBe 1G9X · UniProt Q58663
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