MolNFT v1 · #122784 · protein
A new binding site outside the canonical PDZ domain determines the specific interaction between shank and sapap and their function
5IZU · SH3 and multiple ankyrin repeat domains protein 3: “A new binding site outside the canonical PDZ domain determines the specific interaction between shank and…”. X-ray diffraction, 1 pocket (best druggability 0.67). MolNFT v1 #122784…
- PDB
- 5IZU
- Type
- protein
- Length
- 278 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SH3 and multiple ankyrin repeat domains protein 3; Peptide from disks large-associated…
- UniProt
- Q4ACU6, Q6PFD5
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | SH3 and multiple ankyrin repeat domains protein 3 | protein | 124 | 11% helix, 44% strand | Q4ACU6 |
| B, D | Peptide from disks large-associated protein 3 | protein | 15 | 0% helix, 87% strand | Q6PFD5 |
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 | 632 | 0.67 | 0.76 | 58 | empty |
Interfaces
5 interfaces between chains.
- A–C · 902 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 640 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 634 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 621 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 583 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5IZU · A new binding site outside the canonical PDZ domain determines the specific interaction… · the same entry in another collection · chain A against A, TM-score 1.00
- Q4ACU6 · AlphaFold monomer V2.0 prediction for SH3 and multiple ankyrin repeat domains protein 3… · a predicted model of the same protein · chain A against A, TM-score 0.84
- Q6PFD5 · AlphaFold monomer V2.0 prediction for disks large-associated protein 3 (Q6PFD5) · a predicted model of the same protein · chain B against A, TM-score 0.28
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 Q4ACU6
- Every structure of UniProt Q6PFD5
- Elsewhere: RCSB PDB 5IZU · PDBe 5IZU · UniProt Q4ACU6 · UniProt Q6PFD5
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