MolNFT v1 · #112334 · protein
Crystal structure of dienelactone hydrolase-like promiscuous phospotriesterase P91 from metagenomic libraries
4ZI5: “Crystal structure of dienelactone hydrolase-like promiscuous phospotriesterase P91 from metagenomic libraries”. X-ray diffraction, 2 ligands (MG, CL), 4 pockets (best druggability 0.66). MolNFT v1 #112334 on GenesisL1: 3D structure…
- PDB
- 4ZI5
- Type
- protein
- Length
- 478 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P91
- EC
- 3.1.8.1
- Ligands
- MG, CL
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | P91 (EC 3.1.8.1) | protein | 239 | 36% helix, 26% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.66 | 0.90 | 20 | empty |
| 2 | 108 | 0.52 | 0.82 | 13 | empty |
| 3 | 141 | 0.49 | 0.78 | 21 | empty |
| 4 | 111 | 0.44 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1020 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4ZI5 · Crystal Structure of Dienelactone Hydrolase-like Promiscuous Phospotriesterase P91 from… · 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 4ZI5 · PDBe 4ZI5
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