MolNFT v1 · #55213 · protein
Human serum albumin complexed with iophenoxic acid
2YDF: “Human serum albumin complexed with iophenoxic acid”. X-ray diffraction, 1 ligand (IO3), 18 pockets (best druggability 0.82). MolNFT v1 #55213 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2YDF
- Type
- protein
- Length
- 1,135 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- IO3
- Pockets
- 18 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 569 | 71% helix, 0% strand | P02768 |
| B | Serum albumin | protein | 566 | 72% helix, 0% strand | P02768 |
Ligands and binding sites
- IO3 · Iophenoxic acid · ligand · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.82 | 0.86 | 77 | IO3 |
| 2 | 853 | 0.80 | 0.82 | 84 | IO3 |
| 3 | 135 | 0.74 | 0.93 | 24 | IO3 |
| 4 | 157 | 0.74 | 0.91 | 25 | IO3 |
| 5 | 522 | 0.67 | 0.78 | 60 | IO3 |
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 2YDF · PDBe 2YDF · UniProt P02768
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