MolNFT v1 · #135944 · protein
Prommp-9DESFNII
5UE3 · Matrix metalloproteinase-9: “Prommp-9DESFNII”. X-ray diffraction, 3 ligands (CA, ZN, SO4), 5 pockets (best druggability 0.71). MolNFT v1 #135944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5UE3
- Type
- protein
- Length
- 449 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrix metalloproteinase-9
- EC
- 3.4.24.35
- UniProt
- P14780
- Ligands
- CA, ZN, SO4
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Matrix metalloproteinase-9 (EC 3.4.24.35) | protein | 228 | 32% helix, 14% strand | P14780 |
| B | Matrix metalloproteinase-9 (EC 3.4.24.35) | protein | 221 | 33% helix, 14% strand | P14780 |
Ligands and binding sites
- CA · Calcium ion · metal · 5 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.71 | 0.95 | 21 | TRS |
| 2 | 89 | 0.64 | 0.90 | 21 | empty |
| 3 | 62 | 0.55 | 0.88 | 17 | empty |
| 4 | 59 | 0.53 | 0.88 | 19 | SO4 |
| 5 | 60 | 0.32 | 0.76 | 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 5UE3 · PDBe 5UE3 · UniProt P14780
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