MolNFT v1 · #104241 · protein
Structure of crosslinked TM287/288_S498C_S520C mutant
4Q4J · ABC transporter: “Structure of crosslinked TM287/288_S498C_S520C mutant”. X-ray diffraction, 17 pockets (best druggability 0.80). MolNFT v1 #104241 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Q4J
- Type
- protein
- Length
- 1,155 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter; Uncharacterized ABC transporter ATP-binding protein TM_0288
- UniProt
- Q9WYC3, Q9WYC4
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter | protein | 572 | 63% helix, 10% strand | Q9WYC3 |
| B | Uncharacterized ABC transporter ATP-binding protein TM_0288 | protein | 583 | 62% helix, 9% strand | Q9WYC4 |
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1173 | 0.80 | 0.82 | 91 | empty |
| 2 | 652 | 0.79 | 0.84 | 82 | empty |
| 3 | 97 | 0.73 | 0.95 | 20 | empty |
| 4 | 202 | 0.72 | 0.88 | 28 | empty |
| 5 | 313 | 0.58 | 0.77 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 6635 Ų buried · 49 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4Q4J · Structure of crosslinked TM287/288_S498C_S520C mutant · 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 4Q4J · PDBe 4Q4J · UniProt Q9WYC3 · UniProt Q9WYC4
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