Research workbench
Crystal structure of equine serum albumin complex with ketoprofen
Analyse Crystal structure of equine serum albumin complex with ketoprofen in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6U4R
- Type
- protein
- Length
- 581 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P35747
- Ligands
- 9KL, KNA, UNL, UNX, SO4
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 581 | 72% helix, 0% strand | P35747 |
Ligands and binding sites
- 9KL · (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid · ligand · 3 copies · chains A
- KNA · nonanoic acid · ligand · chains A
- UNL · Unknown ligand · ligand · chains A
- UNX · Unknown atom or ion · ion · 3 copies · chains A
- SO4 · Sulfate ion · ion · 3 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 221 | 0.80 | 0.93 | 31 | KNA, UNX |
| 2 | 573 | 0.80 | 0.85 | 49 | UNL, UNX |
| 3 | 953 | 0.79 | 0.81 | 83 | empty |
| 4 | 136 | 0.70 | 0.90 | 29 | 9KL |
| 5 | 176 | 0.59 | 0.81 | 22 | 9KL |
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 P35747
- Elsewhere: RCSB PDB 6U4R · PDBe 6U4R · UniProt P35747
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