MolNFT v1 · #149636 · protein
Crystal structure of a parallel six-helix coiled coil cc-TYPE2-il-sg
6G68: “Crystal structure of a parallel six-helix coiled coil cc-TYPE2-il-sg”. X-ray diffraction, 2 ligands (ACE, SO4), 2 pockets (best druggability 0.71). MolNFT v1 #149636 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6G68
- Type
- protein
- Length
- 538 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-TYPE2-il-sg
- Ligands
- ACE, SO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 93% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, H, I, J, K, L, M, O, P, Q, R | Cc-TYPE2-il-sg | protein | 30 | 93% helix, 0% strand | — |
| G, N | Cc-TYPE2-il-sg | protein | 29 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 10 copies · chains A, F, B, C, D, E, J, K, M, Q, N, O
- SO4 · Sulfate ion · ion · 2 copies · chains J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 758 | 0.71 | 0.77 | 62 | empty |
| 2 | 119 | 0.44 | 0.77 | 14 | empty |
Interfaces
38 interfaces between chains.
- N–O · 849 Ų buried · 1 hydrogen bond · protein-protein
- D–E · 809 Ų buried · 4 hydrogen bonds · protein-protein
- O–P · 787 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 783 Ų buried · 2 hydrogen bonds · protein-protein
- K–L · 776 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 covalent (covalent ligand).
Compared structures
- 6G68 · Crystal structure of a parallel six-helix coiled coil CC-Type2-IL-Sg · 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 6G68 · PDBe 6G68
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