Research workbench
Partial rotational order disorder structure of human stefin B
Analyse Partial rotational order disorder structure of human stefin B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4N6V
- Type
- protein
- Length
- 910 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystatin-B
- UniProt
- P04080
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 2, 1, 9, 8, 7, 6, 4, 3, 0, 5 | Cystatin-B | protein | 91 | 23% helix, 43% strand | P04080 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains 2, 1, 9, 8
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 942 | 0.70 | 0.75 | 85 | empty |
| 2 | 243 | 0.48 | 0.74 | 42 | empty |
| 3 | 82 | 0.47 | 0.82 | 19 | empty |
| 4 | 74 | 0.46 | 0.82 | 18 | empty |
| 5 | 68 | 0.46 | 0.83 | 18 | empty |
Interfaces
12 interfaces between chains.
- 1–6 · 404 Ų buried · 1 hydrogen bond · protein-protein
- 9–4 · 391 Ų buried · 1 hydrogen bond · protein-protein
- 2–1 · 332 Ų buried · 7 hydrogen bonds · protein-protein
- 9–8 · 316 Ų buried · 7 hydrogen bonds · protein-protein
- 1–0 · 257 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 P04080
- Elsewhere: RCSB PDB 4N6V · PDBe 4N6V · UniProt P04080
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