Research workbench
Human serum albumin complexed with benzbromarone
Analyse Human serum albumin complexed with benzbromarone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7D6J
- Type
- protein
- Length
- 1,105 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- R75
- Pockets
- 17 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 557 | 64% helix, 0% strand | P02768 |
| B | Serum albumin | protein | 548 | 65% helix, 0% strand | P02768 |
Ligands and binding sites
- R75 · [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone · ligand · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1114 | 0.86 | 0.87 | 104 | R75 |
| 2 | 453 | 0.81 | 0.88 | 54 | R75 |
| 3 | 383 | 0.76 | 0.86 | 43 | R75 |
| 4 | 714 | 0.74 | 0.80 | 68 | R75 |
| 5 | 448 | 0.73 | 0.83 | 41 | R75 |
Interfaces
1 interface between chains.
- A–B · 600 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 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 7D6J · PDBe 7D6J · UniProt P02768
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