MolNFT v1 · #91618 · protein
Crystal structure of etta (formerly yjjk) - an E. COLI ABC-type ATPase
4FIN · Etta (yjjk) abcf family protein: “Crystal structure of etta (formerly yjjk) - an E. COLI ABC-type ATPase”. X-ray diffraction, 1 ligand (SO4), 18 pockets (best druggability 0.72). MolNFT v1 #91618 on GenesisL1: 3D structure, binding…
- PDB
- 4FIN
- Type
- protein
- Length
- 1,065 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Etta (yjjk) abcf family protein
- UniProt
- P0A9W3
- Ligands
- SO4
- Pockets
- 18 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Etta (yjjk) abcf family protein | protein | 538 | 39% helix, 24% strand | P0A9W3 |
| B | Etta (yjjk) abcf family protein | protein | 527 | 41% helix, 24% strand | P0A9W3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 11 copies · chains A, B
- GOL · Glycerol · additive · 9 copies · chains A, B
- CIT · Citric acid · additive · chains A, B
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 777 | 0.72 | 0.78 | 96 | SO4, CIT, GOL |
| 2 | 636 | 0.69 | 0.78 | 76 | SO4, GOL |
| 3 | 225 | 0.53 | 0.77 | 39 | empty |
| 4 | 137 | 0.49 | 0.79 | 24 | empty |
| 5 | 165 | 0.48 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 3623 Ų buried · 58 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 19 modified (engineered).
Compared structures
- 4FIN · Crystal Structure of EttA (formerly YjjK) - an E. coli ABC-type ATPase · the same entry in another collection · chain A against A, TM-score 1.00
- P0A9W3 · AlphaFold monomer V2.0 prediction for energy-dependent translational throttle protein… · a predicted model of the same protein · chain A against A, TM-score 0.49
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 P0A9W3
- Elsewhere: RCSB PDB 4FIN · PDBe 4FIN · UniProt P0A9W3
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