MolNFT v1 · #79328 · protein
Crystal structure of phosphonoacetate hydrolase from sinorhizobium meliloti 1021 in complex with acetate
3SZZ: “Crystal structure of phosphonoacetate hydrolase from sinorhizobium meliloti 1021 in complex with acetate”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.73). MolNFT v1 #79328 on GenesisL1: 3D structure, binding…
- PDB
- 3SZZ
- Type
- protein
- Length
- 413 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphonoacetate hydrolase
- EC
- 3.6.1.9
- UniProt
- Q92UV8
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphonoacetate hydrolase (EC 3.6.1.9) | protein | 413 | 35% helix, 21% strand | Q92UV8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 425 | 0.73 | 0.83 | 38 | ZN, ACT |
| 2 | 122 | 0.45 | 0.78 | 20 | empty |
Compared structures
- 3SZZ · Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in… · 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 Q92UV8
- Elsewhere: RCSB PDB 3SZZ · PDBe 3SZZ · UniProt Q92UV8
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