MolNFT v1 · #81248 · protein
Galactose-specific lectin from dolichos lablab in P6522 space group
3UL2 · Legume lectin: “Galactose-specific lectin from dolichos lablab in P6522 space group”. X-ray diffraction, 3 ligands (GAL, CA, MN), 5 pockets (best druggability 0.80). MolNFT v1 #81248 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3UL2
- Type
- protein
- Length
- 992 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Legume lectin
- Ligands
- GAL, CA, MN
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Legume lectin | protein | 248 | 7% helix, 45% strand | — |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
- MN · Manganese (II) ion · metal · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.80 | 0.95 | 42 | empty |
| 2 | 323 | 0.64 | 0.80 | 31 | empty |
| 3 | 608 | 0.63 | 0.74 | 50 | empty |
| 4 | 57 | 0.33 | 0.78 | 14 | empty |
| 5 | 54 | 0.33 | 0.78 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1300 Ų buried · 68 hydrogen bonds · protein-protein
- B–D · 958 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 232 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3UL2 · Galactose-specific lectin from Dolichos lablab in P6522 space group · 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
- Elsewhere: RCSB PDB 3UL2 · PDBe 3UL2
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