MolNFT v1 · #32676 · protein
Human serum albumin complexed with myristate, azapropazone and indomethacin
2BXK: “Human serum albumin complexed with myristate, azapropazone and indomethacin”. X-ray diffraction, 3 ligands (MYR, IMN, AZQ), 7 pockets (best druggability 0.88). MolNFT v1 #32676 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2BXK
- Type
- protein
- Length
- 582 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, IMN, AZQ
- Pockets
- 7 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 582 | 74% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 6 copies · chains A
- IMN · Indomethacin · ligand · chains A
- AZQ · Azapropazone · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.88 | 0.89 | 110 | MYR, IMN, AZQ |
| 2 | 401 | 0.81 | 0.89 | 48 | MYR |
| 3 | 296 | 0.71 | 0.84 | 26 | MYR |
| 4 | 314 | 0.70 | 0.83 | 36 | MYR |
| 5 | 101 | 0.58 | 0.85 | 15 | MYR |
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 2BXK · PDBe 2BXK · UniProt P02768
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