MolNFT v1 · #22664 · protein
The sequence, crystal structure determination and refinement of two crystal forms of lipase B from candida antarctica
1TCA: “The sequence, crystal structure determination and refinement of two crystal forms of lipase B from candida…”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.61). MolNFT v1 #22664 on GenesisL1: 3D structure, binding…
- PDB
- 1TCA
- Type
- protein
- Length
- 317 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- P41365
- Ligands
- NAG
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase (EC 3.1.1.3) | protein | 317 | 38% helix, 15% strand | P41365 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · 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 | 162 | 0.61 | 0.84 | 21 | empty |
Modifications
Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 1TCA · The sequence, crystal structure determination and refinement of two crystal forms of… · the same entry in another collection · chain A against A, TM-score 1.00
- P41365 · AlphaFold monomer V2.0 prediction for lipase B (P41365) · a predicted model of the same protein · 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 P41365
- Elsewhere: RCSB PDB 1TCA · PDBe 1TCA · UniProt P41365
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