MolNFT v1 · #174350 · protein
Mevo lectin complex with 3ALPHA-mannobiose
7BSN: “Mevo lectin complex with 3ALPHA-mannobiose”. X-ray diffraction, 1 ligand (MAN), 20 pockets (best druggability 0.72). MolNFT v1 #174350 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BSN
- Type
- protein
- Length
- 1,955 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lectin
- UniProt
- D7DTD6
- Ligands
- MAN
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F, G, H, J, K, L, M, N | Lectin | protein | 140 | 0% helix, 59% strand | D7DTD6 |
| B | Lectin | protein | 139 | 0% helix, 58% strand | D7DTD6 |
| I | Lectin | protein | 136 | 0% helix, 58% strand | D7DTD6 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 24 copies · chains A, B, C, E, F, H, D, I, J, K, N, G, L, M
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 686 | 0.72 | 0.79 | 85 | MAN |
| 2 | 287 | 0.53 | 0.75 | 33 | empty |
| 3 | 218 | 0.52 | 0.77 | 28 | empty |
| 4 | 205 | 0.50 | 0.76 | 39 | empty |
| 5 | 162 | 0.44 | 0.75 | 35 | empty |
Interfaces
24 interfaces between chains.
- M–N · 662 Ų buried · 18 hydrogen bonds · protein-protein
- J–K · 659 Ų buried · 19 hydrogen bonds · protein-protein
- H–L · 655 Ų buried · 17 hydrogen bonds · protein-protein
- F–G · 654 Ų buried · 19 hydrogen bonds · protein-protein
- H–I · 652 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 7BSN · Mevo lectin complex with 3alpha-mannobiose · 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 D7DTD6
- Elsewhere: RCSB PDB 7BSN · PDBe 7BSN · UniProt D7DTD6
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