MolNFT v1 · #151410 · protein
Complex of ovine serum albumin with diclofenac
6HN0: “Complex of ovine serum albumin with diclofenac”. X-ray diffraction, 1 ligand (DIF), 8 pockets (best druggability 0.79). MolNFT v1 #151410 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HN0
- Type
- protein
- Length
- 583 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P14639
- Ligands
- DIF
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 583 | 75% helix, 0% strand | P14639 |
Ligands and binding sites
- DIF · 2-[2,6-dichlorophenyl)amino]benzeneacetic acid · ligand · 7 copies · chains A
- FMT · Formic acid · additive · 10 copies · chains A
- MLI · Malonate ion · additive · 2 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 574 | 0.79 | 0.85 | 61 | MLI |
| 2 | 742 | 0.79 | 0.82 | 54 | DIF |
| 3 | 163 | 0.72 | 0.90 | 25 | DIF |
| 4 | 214 | 0.55 | 0.78 | 24 | DIF |
| 5 | 156 | 0.53 | 0.80 | 26 | FMT |
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 P14639
- Elsewhere: RCSB PDB 6HN0 · PDBe 6HN0 · UniProt P14639
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