MolNFT v1 · #164314 · protein
Adenovirus 30 fiber knob protein
6STU: “Adenovirus 30 fiber knob protein”. X-ray diffraction, 1 ligand (GLU), 6 pockets (best druggability 0.77). MolNFT v1 #164314 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6STU
- Type
- protein
- Length
- 1,220 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fiber
- UniProt
- M0QTV3
- Ligands
- GLU
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 5 distinct chains · 7% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fiber | protein | 204 | 7% helix, 41% strand | M0QTV3 |
| B | Fiber | protein | 203 | 7% helix, 39% strand | M0QTV3 |
| C | Fiber | protein | 206 | 6% helix, 40% strand | M0QTV3 |
| D, E | Fiber | protein | 201 | 7% helix, 39% strand | M0QTV3 |
| F | Fiber | protein | 205 | 7% helix, 39% strand | M0QTV3 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, C, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 333 | 0.77 | 0.88 | 38 | empty |
| 2 | 301 | 0.77 | 0.88 | 36 | empty |
| 3 | 847 | 0.72 | 0.77 | 107 | empty |
| 4 | 187 | 0.48 | 0.76 | 35 | empty |
| 5 | 95 | 0.36 | 0.75 | 35 | empty |
Interfaces
7 interfaces between chains.
- B–C · 1304 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 1303 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1289 Ų buried · 26 hydrogen bonds · protein-protein
- D–F · 1240 Ų buried · 23 hydrogen bonds · protein-protein
- D–E · 1219 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6STU · Adenovirus 30 Fiber Knob protein · 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 M0QTV3
- Elsewhere: RCSB PDB 6STU · PDBe 6STU · UniProt M0QTV3
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