MolNFT v1 · #13206 · protein
X-ray structure of the neuronal COMPLEXIN/SNARE complex from the squid loligo pealei
1L4A · Synaptobrevin: “X-ray structure of the neuronal COMPLEXIN/SNARE complex from the squid loligo pealei”. X-ray diffraction, 2 pockets (best druggability 0.63). MolNFT v1 #13206 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1L4A
- Type
- protein
- Length
- 324 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Synaptobrevin; S-syntaxin; S-SNAP25 fusion protein; Synaphin a
- UniProt
- P47194, O46345, Q8T3S4, Q95PA1
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 5 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Synaptobrevin | protein | 66 | 71% helix, 0% strand | P47194 |
| B | S-syntaxin | protein | 82 | 83% helix, 0% strand | O46345 |
| C | S-SNAP25 fusion protein | protein | 73 | 89% helix, 0% strand | Q8T3S4 |
| D | S-SNAP25 fusion protein | protein | 75 | 76% helix, 0% strand | Q8T3S4 |
| E | Synaphin a | protein | 28 | 86% helix, 0% strand | Q95PA1 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.63 | 0.92 | 23 | empty |
| 2 | 96 | 0.46 | 0.80 | 18 | empty |
Interfaces
8 interfaces between chains.
- B–C · 1624 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1466 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 1397 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1332 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 524 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1L4A · X-ray structure of the neuronal COMPLEXIN/SNARE complex from the squid loligo pealei · the same entry in another collection · chain B against B, TM-score 1.00
- Q95PA1 · AlphaFold monomer V2.0 prediction for complexin (Q95PA1) · a predicted model of the same protein · chain E against A, TM-score 0.78
- P47194 · AlphaFold monomer V2.0 prediction for synaptobrevin (P47194) · a predicted model of the same protein · chain A against A, TM-score 0.75
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 P47194
- Every structure of UniProt O46345
- Every structure of UniProt Q8T3S4
- Every structure of UniProt Q95PA1
- Elsewhere: RCSB PDB 1L4A · PDBe 1L4A · UniProt P47194 · UniProt O46345 · UniProt Q8T3S4 · UniProt Q95PA1
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