MolNFT v1 · #93277 · protein
Diethylphosphonate inhibited structure of the proteus mirabilis lipase
4GXN · Putative lipase: “Diethylphosphonate inhibited structure of the proteus mirabilis lipase”. X-ray diffraction, 2 ligands (DEP, CA), 1 pocket (best druggability 0.79). MolNFT v1 #93277 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4GXN
- Type
- protein
- Length
- 284 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative lipase
- EC
- 3.1.1.3
- UniProt
- B4EVM3
- Ligands
- DEP, CA
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative lipase (EC 3.1.1.3) | protein | 284 | 46% helix, 17% strand | B4EVM3 |
Ligands and binding sites
- DEP · Diethyl phosphonate · ligand · chains A
- CA · Calcium ion · metal · chains A
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.79 | 0.88 | 34 | DEP |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4GXN · Diethylphosphonate Inhibited Structure of the Proteus mirabilis Lipase · 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 B4EVM3
- Elsewhere: RCSB PDB 4GXN · PDBe 4GXN · UniProt B4EVM3
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