MolNFT v1 · #135247 · protein
Minor pilin fctb from S. pyogenes with engineered intramolecular isopeptide bond
5TTD · Maltose-binding periplasmic PROTEIN,PILIN isopeptide…: “Minor pilin fctb from S. pyogenes with engineered intramolecular isopeptide bond”. X-ray diffraction, 1 ligand (GLC), 7 pockets (best druggability 0.79). MolNFT v1 #135247 on…
- PDB
- 5TTD
- Type
- protein
- Length
- 852 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,PILIN isopeptide linkage domain protein
- UniProt
- P0AEY0, U2UUZ4
- Ligands
- GLC
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic PROTEIN,PILIN isopeptide linkage domain protein | protein | 491 | 33% helix, 30% strand | P0AEY0, U2UUZ4 |
| B | Maltose-binding periplasmic PROTEIN,PILIN isopeptide linkage domain protein | protein | 361 | 45% helix, 22% strand | P0AEY0, U2UUZ4 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A, B
- FMT · Formic acid · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 694 | 0.79 | 0.83 | 61 | GLC |
| 2 | 341 | 0.74 | 0.85 | 32 | GLC |
| 3 | 441 | 0.73 | 0.83 | 47 | empty |
| 4 | 601 | 0.64 | 0.75 | 58 | empty |
| 5 | 55 | 0.33 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 969 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 isopeptide (isopeptide).
Compared structures
- 5TTD · Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond · 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 P0AEY0
- Every structure of UniProt U2UUZ4
- Elsewhere: RCSB PDB 5TTD · PDBe 5TTD · UniProt P0AEY0 · UniProt U2UUZ4
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