MolNFT v1 · #149640 · protein
Crystal structure of a parallel six-helix coiled coil cc-TYPE2-ll-L17E
6G6C: “Crystal structure of a parallel six-helix coiled coil cc-TYPE2-ll-L17E”. X-ray diffraction, 2 ligands (ACE, NH2), 5 pockets (best druggability 0.72). MolNFT v1 #149640 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6G6C
- Type
- protein
- Length
- 715 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-TYPE2-ll-L17E
- Ligands
- ACE, NH2
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 93% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, H, I, M, N, O, P, Q, R, S, U, V, W, X | Cc-TYPE2-ll-L17E | protein | 30 | 93% helix, 0% strand | — |
| G | Cc-TYPE2-ll-L17E | protein | 29 | 93% helix, 0% strand | — |
| J, K, L, T | Cc-TYPE2-ll-L17E | protein | 29 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 16 copies · chains A, B, C, E, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, V, W, X
- NH2 · Amino group · ion · 6 copies · chains B, C, E, F, N, O, R, W
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 679 | 0.72 | 0.79 | 63 | empty |
| 2 | 470 | 0.66 | 0.78 | 46 | empty |
| 3 | 161 | 0.43 | 0.74 | 21 | empty |
| 4 | 61 | 0.42 | 0.82 | 15 | empty |
| 5 | 140 | 0.39 | 0.73 | 19 | empty |
Interfaces
52 interfaces between chains.
- Q–R · 866 Ų buried · 4 hydrogen bonds · protein-protein
- V–W · 861 Ų buried · 2 hydrogen bonds · protein-protein
- H–I · 838 Ų buried · 4 hydrogen bonds · protein-protein
- J–K · 832 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 824 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 covalent (covalent ligand).
Compared structures
- 6G6C · Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17E · 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 6G6C · PDBe 6G6C
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