MolNFT v1 · #80185 · protein
Crystal structure of alicyclobacillus acidocaldarius protein with beta-lactamase and rhodanese domains
3TP9 · Beta-lactamase and rhodanese domain protein: “Crystal structure of alicyclobacillus acidocaldarius protein with beta-lactamase and rhodanese domains”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 3TP9
- Type
- protein
- Length
- 945 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase and rhodanese domain protein
- UniProt
- C8WS08
- Ligands
- ZN
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase and rhodanese domain protein | protein | 473 | 34% helix, 25% strand | C8WS08 |
| B | Beta-lactamase and rhodanese domain protein | protein | 472 | 34% helix, 24% strand | C8WS08 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 798 | 0.80 | 0.83 | 98 | empty |
| 2 | 257 | 0.61 | 0.80 | 31 | empty |
| 3 | 219 | 0.58 | 0.80 | 32 | empty |
| 4 | 83 | 0.33 | 0.74 | 18 | empty |
| 5 | 60 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1245 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3TP9 · Crystal structure of Alicyclobacillus acidocaldarius protein with beta-lactamase and… · 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 C8WS08
- Elsewhere: RCSB PDB 3TP9 · PDBe 3TP9 · UniProt C8WS08
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