MolNFT v1 · #19410 · protein
Structure of astacin with a hydroxamic acid inhibitor
1QJJ: “Structure of astacin with a hydroxamic acid inhibitor”. X-ray diffraction, 2 ligands (HOA, ZN), 1 pocket (best druggability 0.44). MolNFT v1 #19410 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QJJ
- Type
- protein
- Length
- 203 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Astacin; Pro-leu-gly-hydroxamic acid
- EC
- 3.4.24.21
- UniProt
- P07584
- Ligands
- HOA, ZN
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Astacin (EC 3.4.24.21) | protein | 200 | 31% helix, 18% strand | P07584 |
| B | Pro-leu-gly-hydroxamic acid | protein | 3 | 0% helix, 33% strand | — |
Ligands and binding sites
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 | 120 | 0.44 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 249 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 covalent (disulfide, covalent ligand).
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 P07584
- Elsewhere: RCSB PDB 1QJJ · PDBe 1QJJ · UniProt P07584
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