MolNFT v1 · #77095 · protein
Crystal structure of the 4-helix coiled coil cc-tet-PHI22
3R4H · Coiled coil helix cc-tet-PHI22: “Crystal structure of the 4-helix coiled coil cc-tet-PHI22”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.34). MolNFT v1 #77095 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3R4H
- Type
- protein
- Length
- 172 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coiled coil helix cc-tet-PHI22
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.34
Structure
x-ray diffraction · 5 distinct chains · 91% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coiled coil helix cc-tet-PHI22 | protein | 29 | 93% helix, 0% strand | — |
| B, C | Coiled coil helix cc-tet-PHI22 | protein | 30 | 87% helix, 0% strand | — |
| D | Coiled coil helix cc-tet-PHI22 | protein | 27 | 93% helix, 0% strand | — |
| E | Coiled coil helix cc-tet-PHI22 | protein | 27 | 89% helix, 0% strand | — |
| F | Coiled coil helix cc-tet-PHI22 | protein | 29 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.34 | 0.78 | 13 | empty |
Interfaces
9 interfaces between chains.
- A–D · 728 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 690 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 663 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 584 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 574 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified, 1 covalent (nonstandard, covalent ligand).
Compared structures
- 3R4H · Crystal structure of the 4-helix coiled coil CC-Tet-phi22 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 3R4H · PDBe 3R4H
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