Research workbench
Crystal structure of a heterodimeric ABC transporter in its inward- facing conformation
Analyse Crystal structure of a heterodimeric ABC transporter in its inward- facing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QF4
- Type
- protein
- Length
- 1,160 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter, ATP-binding protein; Uncharacterized ABC transporter ATP-binding protein…
- UniProt
- Q9WYC3, Q9WYC4
- Ligands
- ANP, MG
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter, ATP-binding protein | protein | 572 | 65% helix, 11% strand | Q9WYC3 |
| B | Uncharacterized ABC transporter ATP-binding protein TM_0288 | protein | 588 | 64% helix, 8% strand | Q9WYC4 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1199 | 0.80 | 0.81 | 97 | empty |
| 2 | 853 | 0.79 | 0.82 | 99 | empty |
| 3 | 217 | 0.69 | 0.85 | 26 | empty |
| 4 | 374 | 0.62 | 0.77 | 44 | empty |
| 5 | 157 | 0.54 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 6743 Ų buried · 58 hydrogen bonds · protein-protein
Compared structures
- 3QF4 · Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation · the same entry in another collection · chain A against A, TM-score 1.00
- Q9WYC4 · AlphaFold monomer V2.0 prediction for uncharacterized ABC transporter ATP-binding protein… · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q9WYC3
- Every structure of UniProt Q9WYC4
- Elsewhere: RCSB PDB 3QF4 · PDBe 3QF4 · UniProt Q9WYC3 · UniProt Q9WYC4
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