MolNFT v1 · #75578 · protein
Re-refinement of the crystal structure of MUNC18-3 and SYNTAXIN4 N- peptide complex
3PUK · Syntaxin-binding protein 3: “Re-refinement of the crystal structure of MUNC18-3 and SYNTAXIN4 N- peptide complex”. X-ray diffraction, 19 pockets (best druggability 0.67). MolNFT v1 #75578 on GenesisL1: 3D structure, binding sites…
- PDB
- 3PUK
- Type
- protein
- Length
- 1,116 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Syntaxin-binding protein 3; Syntaxin-4 N-terminal peptide
- UniProt
- Q60770, P70452
- Pockets
- 19 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Syntaxin-binding protein 3 | protein | 552 | 41% helix, 14% strand | Q60770 |
| B | Syntaxin-binding protein 3 | protein | 545 | 39% helix, 13% strand | Q60770 |
| C | Syntaxin-4 N-terminal peptide | protein | 9 | 44% helix, 11% strand | P70452 |
| D | Syntaxin-4 N-terminal peptide | protein | 10 | 40% helix, 10% strand | P70452 |
Pockets
19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 654 | 0.67 | 0.76 | 69 | empty |
| 2 | 492 | 0.67 | 0.78 | 59 | empty |
| 3 | 511 | 0.66 | 0.77 | 56 | empty |
| 4 | 503 | 0.64 | 0.76 | 55 | empty |
| 5 | 288 | 0.55 | 0.76 | 47 | empty |
Interfaces
3 interfaces between chains.
- B–D · 714 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 704 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 145 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3PUK · Re-refinement of the crystal structure of Munc18-3 and Syntaxin4 N-peptide complex · the same entry in another collection · chain D against D, TM-score 1.00
- Q60770 · AlphaFold monomer V2.0 prediction for syntaxin-binding protein 3 (Q60770) · a predicted model of the same protein · chain B against A, TM-score 0.95
- P70452 · AlphaFold monomer V2.0 prediction for syntaxin-4 (P70452) · a predicted model of the same protein · chain C against A, TM-score 0.54
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 Q60770
- Every structure of UniProt P70452
- Elsewhere: RCSB PDB 3PUK · PDBe 3PUK · UniProt Q60770 · UniProt P70452
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