Research workbench
Crystal structure of the serine protease domain of masp-3 in complex with ecotin
Analyse Crystal structure of the serine protease domain of masp-3 in complex with ecotin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IW4
- Type
- protein
- Length
- 755 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ecotin; Mannan-binding lectin serine protease 3
- UniProt
- P23827, P48740
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 8% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Ecotin | protein | 137 | 2% helix, 53% strand | P23827 |
| D | Ecotin | protein | 134 | 7% helix, 51% strand | P23827 |
| E | Mannan-binding lectin serine protease 3 | protein | 244 | 11% helix, 34% strand | P48740 |
| F | Mannan-binding lectin serine protease 3 | protein | 240 | 10% helix, 34% strand | P48740 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 924 | 0.86 | 0.88 | 116 | empty |
| 2 | 152 | 0.69 | 0.89 | 20 | empty |
| 3 | 172 | 0.45 | 0.75 | 26 | empty |
| 4 | 69 | 0.31 | 0.74 | 12 | empty |
| 5 | 62 | 0.28 | 0.73 | 15 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1648 Ų buried · 34 hydrogen bonds · protein-protein
- D–F · 1326 Ų buried · 20 hydrogen bonds · protein-protein
- C–E · 1238 Ų buried · 18 hydrogen bonds · protein-protein
- C–F · 731 Ų buried · 14 hydrogen bonds · protein-protein
- D–E · 670 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4IW4 · Crystal structure of the serine protease domain of MASP-3 in complex with ecotin · the same entry in another collection · chain F against F, TM-score 1.00
- P23827 · AlphaFold monomer V2.0 prediction for ecotin (P23827) · a predicted model of the same protein · chain D against A, TM-score 0.98
- P48740 · AlphaFold monomer V2.0 prediction for mannan-binding lectin serine protease 1 (P48740) · a predicted model of the same protein · chain F against A, TM-score 0.89
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 P23827
- Every structure of UniProt P48740
- Elsewhere: RCSB PDB 4IW4 · PDBe 4IW4 · UniProt P23827 · UniProt P48740
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.