MolNFT v1 · #77497 · protein
Structure of fap-nra at pH 5.0
3RGU · Fimbriae-associated protein FAP1: “Structure of fap-nra at pH 5.0”. X-ray diffraction, 1 ligand (GLC), 2 pockets (best druggability 0.56). MolNFT v1 #77497 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3RGU
- Type
- protein
- Length
- 346 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fimbriae-associated protein FAP1
- UniProt
- Q9ZFF9
- Ligands
- GLC
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fimbriae-associated protein FAP1 | protein | 88 | 80% helix, 0% strand | Q9ZFF9 |
| B | Fimbriae-associated protein FAP1 | protein | 87 | 80% helix, 0% strand | Q9ZFF9 |
| C | Fimbriae-associated protein FAP1 | protein | 85 | 82% helix, 0% strand | Q9ZFF9 |
| D | Fimbriae-associated protein FAP1 | protein | 86 | 83% helix, 0% strand | Q9ZFF9 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.56 | 0.76 | 41 | empty |
| 2 | 239 | 0.51 | 0.75 | 41 | empty |
Interfaces
5 interfaces between chains.
- A–B · 751 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 732 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 361 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 91 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 81 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3RGU · Structure of Fap-NRa at pH 5.0 · 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 Q9ZFF9
- Elsewhere: RCSB PDB 3RGU · PDBe 3RGU · UniProt Q9ZFF9
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