MolNFT v1 · #173786 · protein
A heptameric barrel state of a de novo coiled-coil assembly: cc-TYPE2- (GGIAID)4
7BAW · Cc-TYPE2-(GGIAID)4: “A heptameric barrel state of a de novo coiled-coil assembly: cc-TYPE2- (GGIAID)4”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.88). MolNFT v1 #173786 on GenesisL1: 3D structure, binding…
- PDB
- 7BAW
- Type
- protein
- Length
- 208 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-TYPE2-(GGIAID)4
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 93% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E, F | Cc-TYPE2-(GGIAID)4 | protein | 30 | 93% helix, 0% strand | — |
| C, G | Cc-TYPE2-(GGIAID)4 | protein | 29 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 7 copies · chains A, B, C, G, D, E, F
- POL · N-propanol · additive · 3 copies · chains A, C, D, E, F
- GOL · Glycerol · additive · 3 copies · chains B, C, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 994 | 0.88 | 0.87 | 56 | POL, GOL |
Interfaces
7 interfaces between chains.
- C–D · 780 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 779 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 743 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 729 Ų buried · 1 hydrogen bond · protein-protein
- F–G · 700 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 7 covalent (covalent ligand).
Compared structures
- 7BAW · A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4 · 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 7BAW · PDBe 7BAW
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