MolNFT v1 · #170548 · protein
Crystal structure of a parallel hexameric coiled coil cc-TYPE2-(TAID)2
6YB2: “Crystal structure of a parallel hexameric coiled coil cc-TYPE2-(TAID)2”. X-ray diffraction, 2 ligands (ACE, NH2), 1 pocket (best druggability 0.87). MolNFT v1 #170548 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6YB2
- Type
- protein
- Length
- 180 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-TYPE2-(TAID)2
- Ligands
- ACE, NH2
- Pockets
- 1 · best druggability 0.87
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 | Cc-TYPE2-(TAID)2 | protein | 30 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 6 copies · chains A, F, B, C, D, E
- NH2 · Amino group · ion · 6 copies · chains A, B, C, D, E, F
- GOL · Glycerol · additive · 2 copies · chains A, B, C, D, E, F
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 | 559 | 0.87 | 0.91 | 48 | GOL |
Interfaces
6 interfaces between chains.
- B–C · 754 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 735 Ų buried · 2 hydrogen bonds · protein-protein
- A–F · 727 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 714 Ų buried · 2 hydrogen bonds · protein-protein
- D–E · 702 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 covalent (covalent ligand).
Compared structures
- 6YB2 · Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)2 · 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 6YB2 · PDBe 6YB2
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