MolNFT v1 · #75456 · protein
The crystal structures of porcine pathogen APH87_TBPB
3PQS · Transferrin-binding protein: “The crystal structures of porcine pathogen APH87_TBPB”. X-ray diffraction, 5 pockets (best druggability 0.48). MolNFT v1 #75456 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3PQS
- Type
- protein
- Length
- 504 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transferrin-binding protein
- UniProt
- Q44167
- Pockets
- 5 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transferrin-binding protein | protein | 504 | 5% helix, 51% strand | Q44167 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.48 | 0.78 | 24 | empty |
| 2 | 115 | 0.44 | 0.78 | 24 | empty |
| 3 | 113 | 0.37 | 0.74 | 21 | empty |
| 4 | 90 | 0.35 | 0.75 | 27 | GOL |
| 5 | 66 | 0.32 | 0.75 | 16 | GOL |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3PQS · The crystal structures of porcine pathogen ApH87_TbpB · 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 Q44167
- Elsewhere: RCSB PDB 3PQS · PDBe 3PQS · UniProt Q44167
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