MolNFT v1 · #173195 · protein
Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1
7ARX · Mannan-binding lectin serine protease 1: “Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1”. X-ray diffraction, 1 pocket (best druggability 0.41). MolNFT v1 #173195 on GenesisL1: 3D structure, binding…
- PDB
- 7ARX
- Type
- protein
- Length
- 410 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannan-binding lectin serine protease 1; SFMI1 - sunflower MASP1 inhibitor
- EC
- 3.4.21.-
- UniProt
- P48740
- Pockets
- 1 · best druggability 0.41
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannan-binding lectin serine protease 1 (EC 3.4.21.-) | protein | 149 | 0% helix, 38% strand | P48740 |
| B | Mannan-binding lectin serine protease 1 (EC 3.4.21.-) | protein | 249 | 10% helix, 36% strand | P48740 |
| C | SFMI1 - sunflower MASP1 inhibitor | protein | 12 | 0% helix, 25% strand | — |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.41 | 0.75 | 31 | empty |
Interfaces
2 interfaces between chains.
- A–B · 824 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 574 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 7ARX · Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1 · the same entry in another collection · chain A against A, TM-score 1.00
- P48740 · AlphaFold monomer V2.0 prediction for mannan-binding lectin serine protease 1 (P48740) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P48740
- Elsewhere: RCSB PDB 7ARX · PDBe 7ARX · UniProt P48740
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