MolNFT v1 · #159661 · protein
Spy H96L:IM7 K20PI-phe complex; multiple anomalous datasets contained herein for element identification
6OWY · Periplasmic chaperone spy: “Spy H96L:IM7 K20PI-phe complex; multiple anomalous datasets contained herein for element identification”. X-ray diffraction, 3 ligands (ZN, CL, IOD), 2 pockets (best druggability 0.37). MolNFT v1 #159661…
- PDB
- 6OWY
- Type
- protein
- Length
- 178 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Periplasmic chaperone spy
- UniProt
- P77754
- Ligands
- ZN, CL, IOD
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Periplasmic chaperone spy | protein | 90 | 72% helix, 0% strand | P77754 |
| B | Periplasmic chaperone spy | protein | 88 | 75% helix, 0% strand | P77754 |
Ligands and binding sites
- ZN · Zinc ion · metal · 11 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- IOD · Iodide ion · ion · chains A
- IMD · Imidazole · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.37 | 0.76 | 19 | IOD |
| 2 | 67 | 0.31 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1653 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6OWY · Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element… · the same entry in another collection · chain A against A, TM-score 1.00
- P77754 · AlphaFold monomer V2.0 prediction for periplasmic chaperone spy (P77754) · a predicted model of the same protein · chain B against A, TM-score 0.81
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 P77754
- Elsewhere: RCSB PDB 6OWY · PDBe 6OWY · UniProt P77754
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