MolNFT v1 · #163955 · protein
Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre knob complex
6SIT · Fiber protein: “Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre knob complex”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.61). MolNFT v1 #163955 on GenesisL1: 3D…
- PDB
- 6SIT
- Type
- protein
- Length
- 429 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fiber protein; Desmoglein-2
- UniProt
- P04501, Q14126
- Ligands
- CA
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fiber protein | protein | 191 | 7% helix, 41% strand | P04501 |
| D | Desmoglein-2 | protein | 238 | 0% helix, 40% strand | Q14126 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 490 | 0.61 | 0.75 | 51 | empty |
| 2 | 84 | 0.46 | 0.81 | 14 | empty |
| 3 | 77 | 0.35 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–D · 576 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6SIT · Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre… · the same entry in another collection · chain A against A, TM-score 1.00
- Q14126 · AlphaFold monomer V2.0 prediction for desmoglein-2 (Q14126) · a predicted model of the same protein · chain D against A, TM-score 0.97
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 P04501
- Every structure of UniProt Q14126
- Elsewhere: RCSB PDB 6SIT · PDBe 6SIT · UniProt P04501 · UniProt Q14126
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