Research workbench
Horse serum albumin (esa) in complex with cetirizine
Analyse Horse serum albumin (esa) in complex with cetirizine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5DQF
- Type
- protein
- Length
- 580 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P35747
- Ligands
- LCR, CZE, SO4, CL
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 580 | 75% helix, 0% strand | P35747 |
Ligands and binding sites
- LCR · (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid · ligand · chains A
- CZE · (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- PG4 · Tetraethylene glycol · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 525 | 0.80 | 0.86 | 59 | PG4, CL |
| 2 | 761 | 0.75 | 0.79 | 60 | PG4, CL |
| 3 | 112 | 0.73 | 0.94 | 23 | empty |
| 4 | 68 | 0.63 | 0.91 | 20 | PG4 |
| 5 | 241 | 0.60 | 0.80 | 26 | CZE |
Modifications
Observed in the structure: 17 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 P35747
- Elsewhere: RCSB PDB 5DQF · PDBe 5DQF · UniProt P35747
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