MolNFT v1 · #39946 · protein
Crystal structure of squid ganglion dfpase S271A mutant
2IAQ · Diisopropylfluorophosphatase: “Crystal structure of squid ganglion dfpase S271A mutant”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.67). MolNFT v1 #39946 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2IAQ
- Type
- protein
- Length
- 312 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diisopropylfluorophosphatase
- EC
- 3.1.8.2
- UniProt
- Q7SIG4
- Ligands
- CA
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diisopropylfluorophosphatase (EC 3.1.8.2) | protein | 312 | 1% helix, 52% strand | Q7SIG4 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.67 | 0.94 | 25 | empty |
| 2 | 204 | 0.55 | 0.79 | 26 | empty |
Compared structures
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 Q7SIG4
- Elsewhere: RCSB PDB 2IAQ · PDBe 2IAQ · UniProt Q7SIG4
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