MolNFT v1 · #70763 · protein
Human serum albumin in complex with compound 1
3LU6: “Human serum albumin in complex with compound 1”. X-ray diffraction, 1 ligand (IMX), 19 pockets (best druggability 0.84). MolNFT v1 #70763 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3LU6
- Type
- protein
- Length
- 1,156 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- IMX
- Pockets
- 19 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serum albumin | protein | 578 | 69% helix, 0% strand | P02768 |
Ligands and binding sites
- IMX · [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1180 | 0.84 | 0.85 | 97 | IMX |
| 2 | 472 | 0.82 | 0.89 | 49 | IMX |
| 3 | 507 | 0.77 | 0.84 | 45 | empty |
| 4 | 992 | 0.75 | 0.78 | 67 | empty |
| 5 | 78 | 0.73 | 0.97 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 741 Ų buried · 5 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 3LU6 · PDBe 3LU6 · UniProt P02768
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