MolNFT v1 · #87272 · protein
Identification of small molecule inhibitors selective for APO(A) kringles kiv-7, kiv-10 and kv.
4BVW · APOLIPOPROTEIN(A): “Identification of small molecule inhibitors selective for APO(A) kringles kiv-7, kiv-10 and kv.”. X-ray diffraction, 2 ligands (HKY, CL), 1 pocket (best druggability 0.34). MolNFT v1 #87272 on GenesisL1: 3D…
- PDB
- 4BVW
- Type
- protein
- Length
- 158 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
- HKY, CL
- Pockets
- 1 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | APOLIPOPROTEIN(A) (EC 3.4.21.-) | protein | 79 | 0% helix, 22% strand | P08519 |
Ligands and binding sites
- HKY · 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.34 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 207 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4BVW · 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 4BVW · PDBe 4BVW · UniProt P08519
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