Research workbench
proMMP-9desFnII complexed to JNJ0966 INHIBITOR
Analyse proMMP-9desFnII complexed to JNJ0966 INHIBITOR in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UE4
- Type
- protein
- Length
- 447 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Homo sapiens
- Molecule
- Matrix metalloproteinase-9
- EC
- 3.4.24.35
- UniProt
- P14780
- Ligands
- 5XQ, CA, ZN, SO4
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · resolution 1.8 · 2 distinct chains · 33% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Matrix metalloproteinase-9 (EC 3.4.24.35) | protein | 227 | 33% helix, 14% strand | P14780 |
| B | Matrix metalloproteinase-9 (EC 3.4.24.35) | protein | 220 | 33% helix, 14% strand | P14780 |
Ligands and binding sites
- 5XQ · ~{N}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide · ligand · chains B
- CA · Calcium ion · metal · 5 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.72 | 0.97 | 22 | empty |
| 2 | 65 | 0.71 | 0.97 | 21 | empty |
| 3 | 66 | 0.56 | 0.88 | 18 | empty |
| 4 | 162 | 0.53 | 0.80 | 26 | 5XQ |
| 5 | 51 | 0.32 | 0.77 | 14 | empty |
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 P14780
- Elsewhere: RCSB PDB 5UE4 · PDBe 5UE4 · UniProt P14780
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.