MolNFT v1 · #104329 · protein
Structure of a hg-derivative csgg
4Q79: “Structure of a hg-derivative csgg”. X-ray diffraction, 1 ligand (HG), 20 pockets (best druggability 0.80). MolNFT v1 #104329 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Q79
- Type
- protein
- Length
- 1,731 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Csgg
- UniProt
- I1ZTN7
- Ligands
- HG
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 6 distinct chains · 22% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, F | Csgg | protein | 189 | 22% helix, 42% strand | I1ZTN7 |
| A | Csgg | protein | 196 | 22% helix, 43% strand | I1ZTN7 |
| B, I | Csgg | protein | 190 | 21% helix, 43% strand | I1ZTN7 |
| C, E | Csgg | protein | 198 | 23% helix, 42% strand | I1ZTN7 |
| G | Csgg | protein | 190 | 22% helix, 43% strand | I1ZTN7 |
| H | Csgg | protein | 191 | 22% helix, 43% strand | I1ZTN7 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 9 copies · chains D, A, B, C, E, F, G, H, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 919 | 0.80 | 0.82 | 143 | empty |
| 2 | 107 | 0.75 | 0.95 | 20 | empty |
| 3 | 101 | 0.74 | 0.94 | 21 | empty |
| 4 | 458 | 0.73 | 0.83 | 69 | empty |
| 5 | 362 | 0.69 | 0.82 | 59 | empty |
Interfaces
9 interfaces between chains.
- C–G · 2219 Ų buried · 41 hydrogen bonds · protein-protein
- D–F · 2196 Ų buried · 49 hydrogen bonds · protein-protein
- D–C · 2194 Ų buried · 45 hydrogen bonds · protein-protein
- A–B · 2181 Ų buried · 47 hydrogen bonds · protein-protein
- B–E · 2175 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 4Q79 · Structure of a HG-derivative CsgG · the same entry in another collection · chain D against D, 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
- Every structure of UniProt I1ZTN7
- Elsewhere: RCSB PDB 4Q79 · PDBe 4Q79 · UniProt I1ZTN7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.