MolNFT v1 · #152586 · protein
Crystal structure of alpha-beta hydrolase (abh) from vibrio vulnificus
6IMP · Rtx toxin rtxa: “Crystal structure of alpha-beta hydrolase (abh) from vibrio vulnificus”. X-ray diffraction, 9 pockets (best druggability 0.55). MolNFT v1 #152586 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IMP
- Type
- protein
- Length
- 564 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rtx toxin rtxa
- Pockets
- 9 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rtx toxin rtxa | protein | 284 | 44% helix, 15% strand | — |
| B | Rtx toxin rtxa | protein | 280 | 45% helix, 15% strand | — |
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.55 | 0.77 | 34 | empty |
| 2 | 180 | 0.51 | 0.78 | 27 | empty |
| 3 | 212 | 0.49 | 0.76 | 36 | empty |
| 4 | 78 | 0.39 | 0.78 | 15 | empty |
| 5 | 52 | 0.38 | 0.80 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 348 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6IMP · Crystal structure of alpha-beta hydrolase (ABH) from Vibrio vulnificus · 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
- Elsewhere: RCSB PDB 6IMP · PDBe 6IMP
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