MolNFT v1 · #118196 · protein
1.8 ångström crystal structure of ATP-binding component of fused lipid transporter subunits of ABC superfamily from haemophilus influenzae.
5EUM · Lipid a export ATP-BINDING/PERMEASE protein msba: “1.8 ångström crystal structure of ATP-binding component of fused lipid transporter subunits of ABC…”. X-ray diffraction, 2 ligands (SO4, CL), 4 pockets (best druggability 0.76).…
- PDB
- 5EUM
- Type
- protein
- Length
- 499 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipid a export ATP-BINDING/PERMEASE protein msba
- EC
- 3.6.3.-
- UniProt
- A0A0E1SLC7
- Ligands
- SO4, CL
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipid a export ATP-BINDING/PERMEASE protein msba (EC 3.6.3.-) | protein | 251 | 37% helix, 24% strand | A0A0E1SLC7 |
| B | Lipid a export ATP-BINDING/PERMEASE protein msba (EC 3.6.3.-) | protein | 248 | 37% helix, 24% strand | A0A0E1SLC7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
- CL · Chloride ion · ion · chains B
- MLI · Malonate ion · additive · 7 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
- SIN · Succinic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1161 | 0.76 | 0.78 | 97 | empty |
| 2 | 142 | 0.41 | 0.74 | 25 | empty |
| 3 | 68 | 0.38 | 0.79 | 16 | empty |
| 4 | 93 | 0.33 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1427 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
Compared structures
- 5EUM · 1.8 Angstrom Crystal Structure of ATP-binding Component of Fused Lipid Transporter… · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A0E1SLC7
- Elsewhere: RCSB PDB 5EUM · PDBe 5EUM · UniProt A0A0E1SLC7
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