Research workbench
Crystal structure of psathyrella velutina lectin at 1.5A resolution
Analyse Crystal structure of psathyrella velutina lectin at 1.5A resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BWR
- Type
- protein
- Length
- 802 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Psathyrella velutina lectin
- Ligands
- CA, SO4, CL
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Psathyrella velutina lectin | protein | 401 | 4% helix, 38% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 796 | 0.81 | 0.84 | 62 | empty |
| 2 | 1174 | 0.80 | 0.81 | 73 | empty |
| 3 | 423 | 0.71 | 0.82 | 51 | empty |
| 4 | 241 | 0.66 | 0.84 | 25 | empty |
| 5 | 72 | 0.40 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 934 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2BWR · Crystal Structure of Psathyrella Velutina Lectin at 1.5A Resolution · 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 2BWR · PDBe 2BWR
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