MolNFT v1 · #174364 · protein
Mevo lectin complex with mannotriose
7BT8: “Mevo lectin complex with mannotriose”. X-ray diffraction, 2 ligands (MAN, BMA), 8 pockets (best druggability 0.43). MolNFT v1 #174364 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BT8
- Type
- protein
- Length
- 966 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lectin
- UniProt
- D7DTD6
- Ligands
- MAN, BMA
- Pockets
- 8 · best druggability 0.43
Structure
x-ray diffraction · 5 distinct chains · 0% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, D, C | Lectin | protein | 140 | 0% helix, 61% strand | D7DTD6 |
| G | Lectin | protein | 134 | 0% helix, 62% strand | D7DTD6 |
| A | Lectin | protein | 137 | 0% helix, 62% strand | D7DTD6 |
| E | Lectin | protein | 136 | 0% helix, 63% strand | D7DTD6 |
| F | Lectin | protein | 139 | 0% helix, 63% strand | D7DTD6 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 6 copies · chains B, D, E
- BMA · beta-D-mannopyranose · sugar · 3 copies · chains B, D, E
- GOL · Glycerol · additive · 8 copies · chains B, E, A, D, F, C
- EDO · 1,2-ethanediol · additive · 3 copies · chains B, A, F, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.43 | 0.73 | 36 | GOL |
| 2 | 162 | 0.42 | 0.74 | 36 | empty |
| 3 | 130 | 0.41 | 0.75 | 27 | EDO |
| 4 | 108 | 0.38 | 0.75 | 28 | empty |
| 5 | 123 | 0.37 | 0.73 | 24 | EDO |
Interfaces
7 interfaces between chains.
- F–C · 661 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 660 Ų buried · 17 hydrogen bonds · protein-protein
- B–E · 650 Ų buried · 19 hydrogen bonds · protein-protein
- B–G · 646 Ų buried · 17 hydrogen bonds · protein-protein
- A–F · 645 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 7BT8 · Mevo lectin complex with mannotriose · the same entry in another collection · chain B against B, 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 7BT8 · PDBe 7BT8 · UniProt D7DTD6
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