MolNFT v1 · #159048 · protein
Crystal structure of leporine serum albumin in complex with ketoprofen
6OCK: “Crystal structure of leporine serum albumin in complex with ketoprofen”. X-ray diffraction, 3 ligands (9KL, 2J3, POG), 9 pockets (best druggability 0.78). MolNFT v1 #159048 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6OCK
- Type
- protein
- Length
- 582 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- G1U9S2
- Ligands
- 9KL, 2J3, POG
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 582 | 73% helix, 0% strand | G1U9S2 |
Ligands and binding sites
- 9KL · (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid · ligand · 2 copies · chains A
- 2J3 · (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol · ligand · 2 copies · chains A
- POG · (20S)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol · ligand · chains A
- ACT · Acetate ion · additive · 5 copies · chains A
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 819 | 0.78 | 0.81 | 67 | ACT, PGE |
| 2 | 130 | 0.74 | 0.93 | 21 | 9KL |
| 3 | 543 | 0.72 | 0.81 | 51 | ACT |
| 4 | 324 | 0.68 | 0.82 | 41 | POG |
| 5 | 216 | 0.58 | 0.79 | 23 | 2J3 |
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 6OCK · Crystal Structure of Leporine Serum Albumin in Complex with Ketoprofen · the same entry in another collection · chain A against A, TM-score 1.00
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 G1U9S2
- Elsewhere: RCSB PDB 6OCK · PDBe 6OCK · UniProt G1U9S2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.