Research workbench
Pseudomonas cepacia lipase complexed with transition state analogue of 1-phenoxy-2-acetoxy butane
Analyse Pseudomonas cepacia lipase complexed with transition state analogue of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HQD
- Type
- protein
- Length
- 320 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- P22088
- Ligands
- INK, CA
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase (EC 3.1.1.3) | protein | 320 | 38% helix, 19% strand | P22088 |
Ligands and binding sites
- INK · (rp,sp)-O-(2R)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride · ligand · chains A
- CA · Calcium ion · metal · 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 | 398 | 0.65 | 0.78 | 38 | INK |
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 1HQD · Pseudomonas cepacia lipase complexed with transition state analogue of… · the same entry in another collection · chain A against A, TM-score 1.00
- P22088 · AlphaFold monomer V2.0 prediction for triacylglycerol lipase (P22088) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P22088
- Elsewhere: RCSB PDB 1HQD · PDBe 1HQD · UniProt P22088
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