MolNFT v1 · #152924 · protein
Crystal structure of a complex between psychrophilic marine protease mp and its inhibitor lupi
6IXX · Alkaline metalloprotease: “Crystal structure of a complex between psychrophilic marine protease mp and its inhibitor lupi”. X-ray diffraction, 2 ligands (CA, ZN), 6 pockets (best druggability 0.51). MolNFT v1 #152924 on GenesisL1…
- PDB
- 6IXX
- Type
- protein
- Length
- 560 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkaline metalloprotease; Lupi
- UniProt
- D0VMS8, G3MEU6
- Ligands
- CA, ZN
- Pockets
- 6 · best druggability 0.51
Structure
x-ray diffraction · 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
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