MolNFT v1 · #188350 · protein
Structure of EC12 Y1392W variant of bt-R1 from manduca sexta, a CRY1A toxin binding domain
7TNI · Cadherin: “Structure of EC12 Y1392W variant of bt-R1 from manduca sexta, a CRY1A toxin binding domain”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.83). MolNFT v1 #188350 on GenesisL1: 3D structure, binding sites…
- PDB
- 7TNI
- Type
- protein
- Length
- 441 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cadherin
- UniProt
- Q8MZK3
- Ligands
- MG
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Cadherin | protein | 110 | 5% helix, 48% strand | Q8MZK3 |
| C | Cadherin | protein | 111 | 5% helix, 48% strand | Q8MZK3 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 929 | 0.83 | 0.85 | 133 | empty |
Interfaces
5 interfaces between chains.
- A–C · 381 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 375 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 364 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 351 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 50 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7TNI · Structure of EC12 Y1392W variant of BT-R1 from Manduca sexta, a Cry1A toxin binding domain · 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 Q8MZK3
- Elsewhere: RCSB PDB 7TNI · PDBe 7TNI · UniProt Q8MZK3
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