Research workbench
X-ray structure of candida antarctica lipase a in its closed state.
Analyse X-ray structure of candida antarctica lipase a in its closed state. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2VEO
- Type
- protein
- Length
- 860 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase a
- EC
- 3.1.1.3
- UniProt
- W3VKA4
- Ligands
- IUM
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lipase a (EC 3.1.1.3) | protein | 430 | 41% helix, 19% strand | W3VKA4 |
Ligands and binding sites
- IUM · Uranyl (VI) ion · metal · 4 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 102 | 0.78 | 0.98 | 27 | PG4 |
| 2 | 86 | 0.76 | 0.97 | 28 | GOL |
| 3 | 144 | 0.46 | 0.77 | 19 | empty |
| 4 | 58 | 0.41 | 0.81 | 20 | empty |
| 5 | 121 | 0.39 | 0.74 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 561 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 W3VKA4
- Elsewhere: RCSB PDB 2VEO · PDBe 2VEO · UniProt W3VKA4
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