MolNFT v1 · #101840 · protein
Crystal structure of the vaccine antigen transferrin binding protein B (tbpb) mutant tyr-63-ala from actinobacillus suis H57
4O3W: “Crystal structure of the vaccine antigen transferrin binding protein B (tbpb) mutant tyr-63-ala from…”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.76). MolNFT v1 #101840 on GenesisL1: 3D structure, binding…
- PDB
- 4O3W
- Type
- protein
- Length
- 1,081 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transferrin binding protein B
- UniProt
- Q83UA7
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transferrin binding protein B | protein | 546 | 3% helix, 49% strand | Q83UA7 |
| B | Transferrin binding protein B | protein | 535 | 4% helix, 49% strand | Q83UA7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1000 | 0.76 | 0.78 | 113 | empty |
| 2 | 518 | 0.65 | 0.77 | 57 | empty |
| 3 | 510 | 0.65 | 0.77 | 60 | empty |
| 4 | 121 | 0.54 | 0.83 | 41 | empty |
| 5 | 192 | 0.53 | 0.78 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 943 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4O3W · Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant… · 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 Q83UA7
- Elsewhere: RCSB PDB 4O3W · PDBe 4O3W · UniProt Q83UA7
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