MolNFT v1 · #151841 · protein
Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and magnesium (alternative placement of magnesium into the cryo-EM density)
6HZM · ATP-binding cassette sub-family G member 2: “Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and magnesium (alternative placement of magnesium…”. Electron microscopy, 2 ligands (ATP, MG), 20 pockets (best druggability…
- PDB
- 6HZM
- Type
- protein
- Length
- 1,168 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-binding cassette sub-family G member 2
- UniProt
- Q9UNQ0
- Ligands
- ATP, MG
- Pockets
- 20 · best druggability 0.87
Structure
electron microscopy · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ATP-binding cassette sub-family G member 2 | protein | 584 | 51% helix, 10% strand | Q9UNQ0 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 964 | 0.87 | 0.88 | 103 | ATP, MG |
| 2 | 412 | 0.79 | 0.88 | 53 | ATP, MG |
| 3 | 271 | 0.77 | 0.90 | 34 | empty |
| 4 | 540 | 0.65 | 0.77 | 62 | empty |
| 5 | 105 | 0.59 | 0.86 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 4523 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6HZM · Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UNQ0 · AlphaFold monomer V2.0 prediction for broad substrate specificity ATP-binding cassette… · a predicted model of the same protein · chain B 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 Q9UNQ0
- Elsewhere: RCSB PDB 6HZM · PDBe 6HZM · UniProt Q9UNQ0
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