Research workbench
Crystal structure of a complex between psychrophilic marine protease MP and its inhibitor LupI
Analyse Crystal structure of a complex between psychrophilic marine protease MP and its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IXX
- Type
- protein
- Length
- 560 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.999
- Source
- Flavobacterium sp. YS-80-122
- Molecule
- Alkaline metalloprotease; LupI
- UniProt
- D0VMS8, G3MEU6
- Ligands
- CA, ZN
- Pockets
- 6 · best druggability 0.51
Structure
x-ray diffraction · resolution 1.999 · 2 distinct chains · 18% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkaline metalloprotease | protein | 463 | 19% helix, 24% strand | D0VMS8 |
| I | LupI | protein | 97 | 14% helix, 46% strand | G3MEU6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.51 | 0.80 | 26 | empty |
| 2 | 127 | 0.47 | 0.78 | 30 | empty |
| 3 | 142 | 0.44 | 0.76 | 17 | empty |
| 4 | 97 | 0.38 | 0.76 | 26 | ZN |
| 5 | 96 | 0.38 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–I · 1137 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6IXX · Crystal structure of a complex between psychrophilic marine protease mp and its inhibitor… · 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 D0VMS8
- Every structure of UniProt G3MEU6
- Elsewhere: RCSB PDB 6IXX · PDBe 6IXX · UniProt D0VMS8 · UniProt G3MEU6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.