MolNFT v1 · #32681 · protein
Human serum albumin complexed with myristate and phenylbutazone
2BXP: “Human serum albumin complexed with myristate and phenylbutazone”. X-ray diffraction, 2 ligands (MYR, P1Z), 10 pockets (best druggability 0.89). MolNFT v1 #32681 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BXP
- Type
- protein
- Length
- 581 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, P1Z
- Pockets
- 10 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 581 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 7 copies · chains A
- P1Z · 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.89 | 0.92 | 82 | MYR, P1Z |
| 2 | 272 | 0.82 | 0.93 | 36 | MYR |
| 3 | 308 | 0.75 | 0.86 | 25 | MYR |
| 4 | 245 | 0.68 | 0.84 | 33 | MYR |
| 5 | 128 | 0.61 | 0.85 | 14 | empty |
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 P02768
- Elsewhere: RCSB PDB 2BXP · PDBe 2BXP · UniProt P02768
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