Research workbench
Crystal structure of the ENDOG/ENDOGI complex: mechanism of endog inhibition
Analyse Crystal structure of the ENDOG/ENDOGI complex: mechanism of endog inhibition in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ISM
- Type
- protein
- Length
- 778 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CG8862; CG4930
- EC
- 3.6.1.3
- UniProt
- Q7JXB9, Q9V3V9
- Ligands
- MG
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CG8862 | protein | 245 | 24% helix, 29% strand | Q7JXB9 |
| B | CG8862 | protein | 247 | 28% helix, 29% strand | Q7JXB9 |
| C | CG4930 (EC 3.6.1.3) | protein | 286 | 62% helix, 0% strand | Q9V3V9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.76 | 0.98 | 36 | empty |
| 2 | 405 | 0.74 | 0.84 | 70 | MG, TRS |
| 3 | 323 | 0.65 | 0.81 | 47 | MG |
| 4 | 137 | 0.59 | 0.85 | 29 | empty |
| 5 | 68 | 0.43 | 0.81 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1546 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1142 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1029 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3ISM · Crystal structure of the EndoG/EndoGI complex: Mechanism of EndoG inhibition · 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 Q7JXB9
- Every structure of UniProt Q9V3V9
- Elsewhere: RCSB PDB 3ISM · PDBe 3ISM · UniProt Q7JXB9 · UniProt Q9V3V9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.