MolNFT v1 · #62227 · protein
Structure of full-length H11A mutant form of tigar from danio rerio
3E9E · ZGC:56074: “Structure of full-length H11A mutant form of tigar from danio rerio”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.67). MolNFT v1 #62227 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3E9E
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ZGC:56074
- UniProt
- Q7ZVE3
- Ligands
- PO4
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ZGC:56074 | protein | 241 | 34% helix, 22% strand | Q7ZVE3 |
| B | ZGC:56074 | protein | 239 | 36% helix, 21% strand | Q7ZVE3 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 445 | 0.67 | 0.79 | 40 | empty |
| 2 | 345 | 0.61 | 0.78 | 39 | PO4 |
| 3 | 321 | 0.61 | 0.78 | 40 | PO4 |
| 4 | 114 | 0.40 | 0.75 | 21 | empty |
| 5 | 85 | 0.36 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 702 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3E9E · Structure of full-length H11A mutant form of TIGAR from Danio rerio · the same entry in another collection · chain A against A, TM-score 1.00
- Q7ZVE3 · AlphaFold monomer V2.0 prediction for fructose-2,6-bisphosphatase tigar B (Q7ZVE3) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q7ZVE3
- Elsewhere: RCSB PDB 3E9E · PDBe 3E9E · UniProt Q7ZVE3
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