MolNFT v1 · #109969 · protein
Crystal structure of bacterial alginate ABC transporter determined through humid air and glue-coating method
4XIG · ALGM1: “Crystal structure of bacterial alginate ABC transporter determined through humid air and glue-coating method”. X-ray diffraction, 2 ligands (MAW, BEM), 20 pockets (best druggability 0.85). MolNFT v1 #109969 on GenesisL1: 3D…
- PDB
- 4XIG
- Type
- protein
- Length
- 1,796 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALGM1; ALGM2; Algs; ALGQ2
- UniProt
- Q9KWT8, Q9KWT7, Q9KWT9, Q9KWT5
- Ligands
- MAW, BEM
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| M | ALGM1 | protein | 288 | 75% helix, 0% strand | Q9KWT8 |
| N | ALGM2 | protein | 290 | 71% helix, 0% strand | Q9KWT7 |
| S, T | Algs | protein | 363 | 25% helix, 30% strand | Q9KWT9 |
| Q | ALGQ2 | protein | 492 | 43% helix, 14% strand | Q9KWT5 |
Ligands and binding sites
- MAW · 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid · ligand · chains Q
- BEM · beta-D-mannopyranuronic acid · sugar · 3 copies · chains Q
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 606 | 0.85 | 0.90 | 73 | BEM, MAW |
| 2 | 884 | 0.83 | 0.84 | 80 | empty |
| 3 | 1048 | 0.79 | 0.80 | 81 | empty |
| 4 | 227 | 0.78 | 0.92 | 40 | empty |
| 5 | 305 | 0.76 | 0.88 | 44 | empty |
Interfaces
8 interfaces between chains.
- M–N · 4684 Ų buried · 17 hydrogen bonds · protein-protein
- S–T · 1261 Ų buried · 9 hydrogen bonds · protein-protein
- N–Q · 1181 Ų buried · 8 hydrogen bonds · protein-protein
- M–S · 889 Ų buried · 14 hydrogen bonds · protein-protein
- N–T · 822 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4XIG · Crystal structure of bacterial alginate ABC transporter determined through humid air and… · the same entry in another collection · chain M against M, 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 Q9KWT8
- Every structure of UniProt Q9KWT7
- Every structure of UniProt Q9KWT9
- Every structure of UniProt Q9KWT5
- Elsewhere: RCSB PDB 4XIG · PDBe 4XIG · UniProt Q9KWT8 · UniProt Q9KWT7 · UniProt Q9KWT9 · UniProt Q9KWT5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.