MolNFT v1 · #144305 · protein
E. COLI msba in complex with lps and inhibitor G907
6BPL · Lipid a export ATP-BINDING/PERMEASE protein msba: “E. COLI msba in complex with lps and inhibitor G907”. X-ray diffraction, 12 ligands (3PE, FTT, AU7), 18 pockets (best druggability 0.83). MolNFT v1 #144305 on GenesisL1: 3D…
- PDB
- 6BPL
- Type
- protein
- Length
- 1,141 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
- Q8FJB1
- Ligands
- 3PE, FTT, AU7, PA1, DAO, MYR, DPO, GMH, GLC, KDO, GCS, PO4
- Pockets
- 18 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipid a export ATP-BINDING/PERMEASE protein msba (EC 3.6.3.-) | protein | 576 | 65% helix, 11% strand | Q8FJB1 |
| B | Lipid a export ATP-BINDING/PERMEASE protein msba (EC 3.6.3.-) | protein | 565 | 64% helix, 11% strand | Q8FJB1 |
Ligands and binding sites
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 4 copies · chains A, B
- FTT · 3-hydroxy-tetradecanoic acid · ligand · 4 copies · chains A, B
- AU7 · (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl) ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid · ligand · 2 copies · chains A, B
- PA1 · 2-amino-2-deoxy-alpha-D-glucopyranose · ligand · chains A, B
- DAO · Lauric acid · ligand · chains A, B
- MYR · Myristic acid · ligand · chains A, B
- DPO · Diphosphate · ligand
- GMH · L-glycero-alpha-D-manno-heptopyranose · sugar · 3 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
- KDO · 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid · sugar · 2 copies · chains A, B
- GCS · 2-amino-2-deoxy-beta-D-glucopyranose · sugar · chains B
- PO4 · Phosphate ion · ion · 2 copies · chains B, 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1072 | 0.83 | 0.84 | 75 | AU7, FTT, DAO, MYR |
| 2 | 947 | 0.77 | 0.80 | 100 | empty |
| 3 | 173 | 0.64 | 0.84 | 20 | AU7 |
| 4 | 167 | 0.64 | 0.84 | 29 | empty |
| 5 | 173 | 0.61 | 0.82 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 5935 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 glycan (glycosylation).
Compared structures
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 Q8FJB1
- Elsewhere: RCSB PDB 6BPL · PDBe 6BPL · UniProt Q8FJB1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.