Research workbench
Human serum albumin mutant R218H complexed with thyroxine (3,3',5,5'- tetraiodo-L-thyronine)
Analyse Human serum albumin mutant R218H complexed with thyroxine (3,3',5,5'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HK2
- Type
- protein
- Length
- 560 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- T44
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 560 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- T44 · 3,5,3',5'-tetraiodo-L-thyronine · ligand · 4 copies · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 998 | 0.81 | 0.82 | 87 | T44 |
| 2 | 389 | 0.67 | 0.80 | 38 | T44 |
| 3 | 311 | 0.60 | 0.78 | 31 | empty |
| 4 | 200 | 0.55 | 0.78 | 19 | empty |
| 5 | 133 | 0.50 | 0.79 | 17 | T44 |
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 1HK2 · PDBe 1HK2 · UniProt P02768
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