MolNFT v1 · #63623 · protein
Structure of nk cell receptor KLRG1 bound to E-cadherin
3FF7 · Epithelial cadherin: “Structure of nk cell receptor KLRG1 bound to E-cadherin”. X-ray diffraction, 5 pockets (best druggability 0.68). MolNFT v1 #63623 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FF7
- Type
- protein
- Length
- 419 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epithelial cadherin; Killer cell lectin-like receptor subfamily G member 1
- UniProt
- P12830, Q96E93
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 10% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epithelial cadherin | protein | 97 | 7% helix, 41% strand | P12830 |
| B | Epithelial cadherin | protein | 98 | 7% helix, 42% strand | P12830 |
| C, D | Killer cell lectin-like receptor subfamily G member 1 | protein | 112 | 15% helix, 36% strand | Q96E93 |
Ligands and binding sites
- ACY · Acetic acid · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 534 | 0.68 | 0.78 | 69 | empty |
| 2 | 181 | 0.54 | 0.79 | 30 | empty |
| 3 | 145 | 0.44 | 0.75 | 23 | empty |
| 4 | 103 | 0.36 | 0.74 | 24 | empty |
| 5 | 55 | 0.32 | 0.77 | 14 | empty |
Interfaces
5 interfaces between chains.
- B–D · 605 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 581 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 358 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 358 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 166 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3FF7 · Structure of NK cell receptor KLRG1 bound to E-cadherin · the same entry in another collection · chain A against A, TM-score 1.00
- Q96E93 · AlphaFold monomer V2.0 prediction for killer cell lectin-like receptor subfamily G member… · a predicted model of the same protein · chain C against A, TM-score 0.99
- P12830 · AlphaFold monomer V2.0 prediction for cadherin-1 (P12830) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 P12830
- Every structure of UniProt Q96E93
- Elsewhere: RCSB PDB 3FF7 · PDBe 3FF7 · UniProt P12830 · UniProt Q96E93
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