MolNFT v1 · #58130 · protein
Structural and biochemical characterization of CLFB:LIGAND interactions
3AU0 · Clumping factor B: “Structural and biochemical characterization of CLFB:LIGAND interactions”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.58). MolNFT v1 #58130 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3AU0
- Type
- protein
- Length
- 339 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Clumping factor B
- UniProt
- Q7A382
- Ligands
- MG
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Clumping factor B | protein | 339 | 5% helix, 44% strand | Q7A382 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A
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 | 271 | 0.58 | 0.78 | 34 | empty |
| 2 | 231 | 0.52 | 0.76 | 34 | empty |
Compared structures
- 3AU0 · Structural and biochemical characterization of ClfB:ligand interactions · the same entry in another collection · chain A against A, TM-score 1.00
- Q7A382 · AlphaFold monomer V2.0 prediction for clumping factor B (Q7A382) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q7A382
- Elsewhere: RCSB PDB 3AU0 · PDBe 3AU0 · UniProt Q7A382
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