MolNFT v1 · #161474 · protein
Engbf darpin fusion 9B 3G124
6QFO · Pega domain-containing PROTEIN,PEGA domain-containing…: “Engbf darpin fusion 9B 3G124”. X-ray diffraction, 1 ligand (MN), 17 pockets (best druggability 0.80). MolNFT v1 #161474 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6QFO
- Type
- protein
- Length
- 1,348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pega domain-containing PROTEIN,PEGA domain-containing PROTEIN,ENGBF darpin fusion 9B 3G124
- UniProt
- A0A413AG90
- Ligands
- MN
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pega domain-containing PROTEIN,PEGA domain-containing PROTEIN,ENGBF darpin fusion 9B 3G124 | protein | 1348 | 22% helix, 31% strand | A0A413AG90 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.80 | 0.96 | 46 | empty |
| 2 | 76 | 0.76 | 0.99 | 25 | empty |
| 3 | 414 | 0.62 | 0.77 | 50 | empty |
| 4 | 246 | 0.53 | 0.76 | 30 | empty |
| 5 | 180 | 0.51 | 0.78 | 24 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6QFO · EngBF DARPin Fusion 9b 3G124 · 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
- Every structure of UniProt A0A413AG90
- Elsewhere: RCSB PDB 6QFO · PDBe 6QFO · UniProt A0A413AG90
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