Research workbench
Identification of small molecule inhibitors selective for APO(A) kringles kiv-7, kiv-10 and kv.
Analyse Identification of small molecule inhibitors selective for APO(A) kringles… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BV5
- Type
- protein
- Length
- 156 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- APOLIPOPROTEIN(A)
- EC
- 3.4.21.-
- UniProt
- P08519
- Ligands
- 5C3
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | APOLIPOPROTEIN(A) (EC 3.4.21.-) | protein | 78 | 0% helix, 19% strand | P08519 |
Ligands and binding sites
- 5C3 · 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.37 | 0.76 | 12 | 5C3 |
| 2 | 80 | 0.35 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 149 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4BV5 · Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10… · 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 P08519
- Elsewhere: RCSB PDB 4BV5 · PDBe 4BV5 · UniProt P08519
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.