Research workbench
Crystal structure analysis of human serum albumin complexed with delta 12-prostaglandin J2
Analyse Crystal structure analysis of human serum albumin complexed with delta… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A73
- Type
- protein
- Length
- 1,152 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, PJ2
- Pockets
- 14 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serum albumin | protein | 576 | 72% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 12 copies · chains A, B
- PJ2 · (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid · ligand · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1105 | 0.89 | 0.90 | 122 | MYR |
| 2 | 850 | 0.88 | 0.90 | 81 | MYR |
| 3 | 576 | 0.86 | 0.92 | 73 | MYR |
| 4 | 332 | 0.80 | 0.90 | 47 | MYR |
| 5 | 354 | 0.75 | 0.85 | 33 | PJ2 |
Interfaces
1 interface between chains.
- A–B · 437 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 3A73 · Crystal Structure Analysis of Human serum albumin complexed with delta 12-prostaglandin J2 · the same entry in another collection · chain A against A, TM-score 1.00
- P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P02768
- Elsewhere: RCSB PDB 3A73 · PDBe 3A73 · UniProt P02768
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