MolNFT v1 · #117413 · protein
Crystal structure of BACOVA_02650 with xylogluco-oligosaccharide
5E7G · IPT/TIG domain-containing protein BACOVA_02650: “Crystal structure of BACOVA_02650 with xylogluco-oligosaccharide”. X-ray diffraction, 4 ligands (BGC, XYS, CA), 2 pockets (best druggability 0.46). MolNFT v1 #117413 on GenesisL1: 3D…
- PDB
- 5E7G
- Type
- protein
- Length
- 446 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IPT/TIG domain-containing protein BACOVA_02650
- UniProt
- A7LXT4
- Ligands
- BGC, XYS, CA, SO4
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IPT/TIG domain-containing protein BACOVA_02650 | protein | 446 | 4% helix, 45% strand | A7LXT4 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 6 copies · chains A
- XYS · alpha-D-xylopyranose · sugar · 3 copies · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.46 | 0.80 | 22 | empty |
| 2 | 55 | 0.33 | 0.77 | 14 | empty |
Compared structures
- 5E7G · Crystal structure of Bacova_02650 with xylogluco-oligosaccharide · the same entry in another collection · chain A against A, TM-score 1.00
- A7LXT4 · AlphaFold monomer V2.0 prediction for IPT/TIG domain-containing protein BACOVA_02650… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 A7LXT4
- Elsewhere: RCSB PDB 5E7G · PDBe 5E7G · UniProt A7LXT4
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