MolNFT v1 · #109651 · protein
Low resolution crystal structure of LECITHIN:CHOLESTEROL acyltransferase (lcat; residues 21-397)
4X96 · Phosphatidylcholine-sterol acyltransferase: “Low resolution crystal structure of LECITHIN:CHOLESTEROL acyltransferase (lcat; residues 21-397)”. X-ray diffraction, 2 ligands (NAG, BMA), 20 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 4X96
- Type
- protein
- Length
- 1,500 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylcholine-sterol acyltransferase
- EC
- 2.3.1.43
- UniProt
- P04180
- Ligands
- NAG, BMA
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, A, B, C | Phosphatidylcholine-sterol acyltransferase (EC 2.3.1.43) | protein | 375 | 35% helix, 20% strand | P04180 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 20 copies · chains D, A, B, C
- BMA · beta-D-mannopyranose · sugar · 8 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 619 | 0.87 | 0.91 | 73 | empty |
| 2 | 466 | 0.86 | 0.92 | 73 | empty |
| 3 | 415 | 0.85 | 0.93 | 66 | empty |
| 4 | 397 | 0.83 | 0.91 | 65 | empty |
| 5 | 721 | 0.82 | 0.85 | 98 | empty |
Interfaces
4 interfaces between chains.
- B–C · 885 Ų buried · 8 hydrogen bonds · protein-protein
- D–B · 765 Ų buried · 3 hydrogen bonds · protein-protein
- D–A · 716 Ų buried · 10 hydrogen bonds · protein-protein
- D–C · 613 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 glycan, 8 disulfide (N-glycosylation, disulfide).
Compared structures
- 4X96 · Low resolution crystal structure of Lecithin:Cholesterol Acyltransferase (LCAT; residues… · the same entry in another collection · chain D against D, TM-score 1.00
- P04180 · AlphaFold monomer V2.0 prediction for phosphatidylcholine-sterol acyltransferase (P04180) · a predicted model of the same protein · chain D against A, TM-score 0.96
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 P04180
- Elsewhere: RCSB PDB 4X96 · PDBe 4X96 · UniProt P04180
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