Research workbench
Crystal structure of the computationally designed nnos-syntrophin complex
Analyse Crystal structure of the computationally designed nnos-syntrophin complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HOP
- Type
- protein
- Length
- 625 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1-syntrophin; Nitric oxide synthase, brain
- EC
- 1.14.13.39
- UniProt
- Q61234, P29476
- Pockets
- 8 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 15% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Alpha-1-syntrophin | protein | 87 | 18% helix, 36% strand | Q61234 |
| B, F | Nitric oxide synthase, brain (EC 1.14.13.39) | protein | 120 | 12% helix, 45% strand | P29476 |
| D | Nitric oxide synthase, brain (EC 1.14.13.39) | protein | 123 | 11% helix, 46% strand | P29476 |
| E | Alpha-1-syntrophin | protein | 88 | 19% helix, 38% strand | Q61234 |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.58 | 0.75 | 39 | empty |
| 2 | 323 | 0.57 | 0.76 | 33 | empty |
| 3 | 258 | 0.51 | 0.75 | 35 | empty |
| 4 | 129 | 0.44 | 0.77 | 22 | empty |
| 5 | 62 | 0.35 | 0.77 | 12 | empty |
Interfaces
9 interfaces between chains.
- A–B · 710 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 689 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 665 Ų buried · 13 hydrogen bonds · protein-protein
- C–E · 247 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 240 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4HOP · Crystal structure of the computationally designed NNOS-Syntrophin complex · the same entry in another collection · chain F against F, TM-score 1.00
- Q61234 · AlphaFold monomer V2.0 prediction for alpha-1-syntrophin (Q61234) · a predicted model of the same protein · chain E against A, TM-score 0.94
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 Q61234
- Every structure of UniProt P29476
- Elsewhere: RCSB PDB 4HOP · PDBe 4HOP · UniProt Q61234 · UniProt P29476
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