MolNFT v1 · #177059 · protein
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2
7E67 · Peptidase M23: “The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2”. X-ray diffraction, 2 ligands (HXR, ZN), 2 pockets (best druggability 0.57). MolNFT v1 #177059 on GenesisL1: 3D structure, binding sites…
- PDB
- 7E67
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidase M23
- UniProt
- A0A1J6PWI8
- Ligands
- HXR, ZN
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidase M23 | protein | 255 | 12% helix, 43% strand | A0A1J6PWI8 |
Ligands and binding sites
- HXR · N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.57 | 0.75 | 31 | ZN, HXR |
| 2 | 134 | 0.47 | 0.78 | 23 | empty |
Compared structures
- 7E67 · The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2 · 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 A0A1J6PWI8
- Elsewhere: RCSB PDB 7E67 · PDBe 7E67 · UniProt A0A1J6PWI8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.