MolNFT v1 · #25679 · protein
Crystal structuore of acylphosphatase from pyrococcus horikoshii complexed with formate
1W2I: “Crystal structuore of acylphosphatase from pyrococcus horikoshii complexed with formate”. X-ray diffraction, 1 pocket (best druggability 0.37). MolNFT v1 #25679 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1W2I
- Type
- protein
- Length
- 180 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acylphosphatase
- EC
- 3.6.1.7
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acylphosphatase (EC 3.6.1.7) | protein | 90 | 24% helix, 42% strand | — |
Ligands and binding sites
- FMT · Formic acid · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 102 | 0.37 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 716 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1W2I · Crystal structuore of acylphosphatase from Pyrococcus horikoshii complexed with formate · 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
- Elsewhere: RCSB PDB 1W2I · PDBe 1W2I
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