MolNFT v1 · #152453 · protein
Crystal structure of alpha-beta hydrolase (abh) and makes caterpillars floppy (mcf)-like effectors of vibrio vulnificus MO6-24/O
6II2 · Putative rtx-toxin: “Crystal structure of alpha-beta hydrolase (abh) and makes caterpillars floppy (mcf)-like effectors of vibrio…”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #152453 on GenesisL1: 3D…
- PDB
- 6II2
- Type
- protein
- Length
- 2,333 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative rtx-toxin
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative rtx-toxin | protein | 614 | 44% helix, 13% strand | — |
| B | Putative rtx-toxin | protein | 612 | 44% helix, 14% strand | — |
| C | Putative rtx-toxin | protein | 568 | 46% helix, 14% strand | — |
| D | Putative rtx-toxin | protein | 539 | 46% helix, 11% strand | — |
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 308 | 0.76 | 0.88 | 48 | empty |
| 2 | 944 | 0.75 | 0.78 | 89 | empty |
| 3 | 394 | 0.72 | 0.83 | 40 | empty |
| 4 | 878 | 0.72 | 0.77 | 69 | empty |
| 5 | 730 | 0.72 | 0.78 | 76 | empty |
Interfaces
6 interfaces between chains.
- A–D · 550 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 453 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 317 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 177 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 156 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6II2 · Crystal structure of alpha-beta hydrolase (ABH) and Makes Caterpillars Floppy (MCF)-Like… · the same entry in another collection · chain B against B, 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 6II2 · PDBe 6II2
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