Research workbench
A de novo pentameric coiled-coil assembly: cc-TYPE2-(TGIAID)4- W19BRPHE.
Analyse A de novo pentameric coiled-coil assembly: cc-TYPE2-(TGIAID)4- W19BRPHE. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BAU
- Type
- protein
- Length
- 295 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-TYPE2-(TGLAID)4-W19BRPHE.
- Ligands
- ACE, NH2
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 92% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, H | Cc-TYPE2-(TGLAID)4-W19BRPHE. | protein | 29 | 93% helix, 0% strand | — |
| B, C, F | Cc-TYPE2-(TGLAID)4-W19BRPHE. | protein | 29 | 93% helix, 0% strand | — |
| D, E, G, I, J | Cc-TYPE2-(TGLAID)4-W19BRPHE. | protein | 30 | 90% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 4 copies · chains A, E, H, J
- NH2 · Amino group · ion · 5 copies · chains C, D, E, F, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.81 | 0.89 | 41 | empty |
| 2 | 177 | 0.77 | 0.91 | 25 | empty |
| 3 | 142 | 0.71 | 0.89 | 20 | empty |
| 4 | 190 | 0.52 | 0.77 | 22 | empty |
| 5 | 50 | 0.25 | 0.73 | 10 | empty |
Interfaces
14 interfaces between chains.
- F–G · 704 Ų buried · 1 hydrogen bond · protein-protein
- H–I · 679 Ų buried · 1 hydrogen bond · protein-protein
- C–E · 670 Ų buried · 1 hydrogen bond · protein-protein
- G–H · 668 Ų buried · 6 hydrogen bonds · protein-protein
- F–J · 666 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified, 4 covalent (nonstandard, covalent ligand).
Compared structures
- 7BAU · A de novo pentameric coiled-coil assembly: CC-Type2-(TgIaId)4-W19BrPhe. · 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 7BAU · PDBe 7BAU
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