MolNFT v1 · #183130 · protein
A heptameric barrel state of a de novo coiled-coil assembly: cc-TYPE2- (LAID)4-I17K
7NFP · Cc-TYPE2-(LAID)4-I17K: “A heptameric barrel state of a de novo coiled-coil assembly: cc-TYPE2- (LAID)4-I17K”. X-ray diffraction, 1 ligand (ACE), 2 pockets (best druggability 0.82). MolNFT v1 #183130 on GenesisL1: 3D structure…
- PDB
- 7NFP
- Type
- protein
- Length
- 210 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-TYPE2-(LAID)4-I17K
- Ligands
- ACE
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 93% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Cc-TYPE2-(LAID)4-I17K | protein | 30 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 7 copies · chains A, C, B, G, D, E, F
- GOL · Glycerol · additive · 2 copies · chains A, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 401 | 0.82 | 0.89 | 35 | GOL |
| 2 | 286 | 0.80 | 0.90 | 28 | GOL |
Interfaces
14 interfaces between chains.
- B–E · 870 Ų buried · 8 hydrogen bonds · protein-protein
- F–G · 842 Ų buried · 6 hydrogen bonds · protein-protein
- A–F · 831 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 822 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 818 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 covalent, 7 modified (covalent ligand, nonstandard).
Compared structures
- 7NFP · A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K · 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 7NFP · PDBe 7NFP
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