MolNFT v1 · #151183 · protein
Crystal structure of a two-domain esterase (cex) active on acetylated mannans
6HFZ · Gdsl-like protein: “Crystal structure of a two-domain esterase (cex) active on acetylated mannans”. X-ray diffraction, 7 pockets (best druggability 0.67). MolNFT v1 #151183 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6HFZ
- Type
- protein
- Length
- 1,470 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gdsl-like protein
- UniProt
- C7G6F8
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gdsl-like protein | protein | 367 | 29% helix, 28% strand | C7G6F8 |
| B | Gdsl-like protein | protein | 368 | 29% helix, 28% strand | C7G6F8 |
| C | Gdsl-like protein | protein | 371 | 29% helix, 27% strand | C7G6F8 |
| D | Gdsl-like protein | protein | 364 | 28% helix, 28% strand | C7G6F8 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A, B, C
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 354 | 0.67 | 0.81 | 41 | empty |
| 2 | 347 | 0.66 | 0.81 | 46 | empty |
| 3 | 571 | 0.63 | 0.75 | 52 | empty |
| 4 | 373 | 0.59 | 0.76 | 60 | ACT, EPE |
| 5 | 218 | 0.49 | 0.75 | 40 | empty |
Interfaces
3 interfaces between chains.
- C–D · 759 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 742 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 440 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 6HFZ · Crystal structure of a two-domain esterase (CEX) active on acetylated mannans · 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
- Every structure of UniProt C7G6F8
- Elsewhere: RCSB PDB 6HFZ · PDBe 6HFZ · UniProt C7G6F8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.