MolNFT v1 · #186332 · protein
Adenylate cyclase toxin rtx domain fragment bound to M1H5 Fab and M2B10 Fab
7RAH · M1H5 Fab light chain: “Adenylate cyclase toxin rtx domain fragment bound to M1H5 Fab and M2B10 Fab”. X-ray diffraction, 2 ligands (CA, PO4), 13 pockets (best druggability 0.70). MolNFT v1 #186332 on GenesisL1: 3D structure, binding…
- PDB
- 7RAH
- Type
- protein
- Length
- 1,182 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- M1H5 Fab light chain; M1H5 Fab heavy chain; M2B10 Fab light chain; M2B10 Fab heavy chain…
- UniProt
- A0A380ZZA1
- Ligands
- CA, PO4
- Pockets
- 13 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | M1H5 Fab light chain | protein | 215 | 6% helix, 52% strand | — |
| B | M1H5 Fab heavy chain | protein | 223 | 9% helix, 53% strand | — |
| C | M2B10 Fab light chain | protein | 185 | 5% helix, 46% strand | — |
| D | M2B10 Fab heavy chain | protein | 199 | 5% helix, 49% strand | — |
| E | Bifunctional adenylate cyclase TOXIN/HEMOLYSIN cyaa, bifunctional adenylate cyclase TOXIN/HEMOLYSIN cyaa | protein | 360 | 4% helix, 39% strand | A0A380ZZA1 |
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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 603 | 0.70 | 0.78 | 60 | empty |
| 2 | 349 | 0.58 | 0.76 | 47 | empty |
| 3 | 319 | 0.52 | 0.73 | 47 | empty |
| 4 | 51 | 0.46 | 0.85 | 19 | empty |
| 5 | 70 | 0.44 | 0.82 | 23 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2036 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1526 Ų buried · 14 hydrogen bonds · protein-protein
- B–E · 881 Ų buried · 24 hydrogen bonds · protein-protein
- D–E · 649 Ų buried · 6 hydrogen bonds · protein-protein
- C–E · 285 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7RAH · Adenylate cyclase toxin RTX domain fragment bound to M1H5 Fab and M2B10 Fab · 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 A0A380ZZA1
- Elsewhere: RCSB PDB 7RAH · PDBe 7RAH · UniProt A0A380ZZA1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.