MolNFT v1 · #151592 · protein
Structure of human serum albumin in complex with aristolochic acid at 1.9 a resolution
6HSC: “Structure of human serum albumin in complex with aristolochic acid at 1.9 a resolution”. X-ray diffraction, 2 ligands (MYR, GOQ), 14 pockets (best druggability 0.89). MolNFT v1 #151592 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6HSC
- Type
- protein
- Length
- 1,164 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, GOQ
- Pockets
- 14 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serum albumin | protein | 582 | 74% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 13 copies · chains A, B
- GOQ · 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid · ligand · chains B
- EDO · 1,2-ethanediol · additive · 9 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, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.89 | 0.90 | 129 | MYR |
| 2 | 707 | 0.88 | 0.91 | 89 | MYR, EDO |
| 3 | 472 | 0.81 | 0.88 | 52 | MYR |
| 4 | 198 | 0.78 | 0.93 | 38 | MYR, EDO |
| 5 | 281 | 0.78 | 0.89 | 40 | MYR, EDO |
Interfaces
1 interface between chains.
- A–B · 939 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 disulfide, 1 lipid (disulfide, myristoylation).
Compared structures
- P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain B 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 6HSC · PDBe 6HSC · UniProt P02768
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