MolNFT v1 · #31065 · protein
Adamalysin II with peptidomimetic inhibitor POL647
2AIG: “Adamalysin II with peptidomimetic inhibitor POL647”. X-ray diffraction, 4 ligands (0GR, ZN, CA), 1 pocket (best druggability 0.52). MolNFT v1 #31065 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2AIG
- Type
- protein
- Length
- 201 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adamalysin II
- EC
- 3.4.24.46
- Ligands
- 0GR, ZN, CA, SO4
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P | Adamalysin II (EC 3.4.24.46) | protein | 201 | 39% helix, 20% strand | — |
Ligands and binding sites
- 0GR · N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan · ligand · chains P
- ZN · Zinc ion · metal · chains P
- CA · Calcium ion · metal · chains P
- SO4 · Sulfate ion · ion · chains P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.52 | 0.82 | 23 | 0GR, ZN |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2AIG · Adamalysin II with peptidomimetic inhibitor POL647 · the same entry in another collection · chain P against P, 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
- Elsewhere: RCSB PDB 2AIG · PDBe 2AIG
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