MolNFT v1 · #18919 · protein
Crystal structure of the catalytic region of human masp-2
1Q3X · Mannan-binding lectin serine protease 2: “Crystal structure of the catalytic region of human masp-2”. X-ray diffraction, 1 ligand (NA), 7 pockets (best druggability 0.53). MolNFT v1 #18919 on GenesisL1: 3D structure, binding sites…
- PDB
- 1Q3X
- Type
- protein
- Length
- 636 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannan-binding lectin serine protease 2
- EC
- 3.4.21.-
- UniProt
- O00187
- Ligands
- NA
- Pockets
- 7 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannan-binding lectin serine protease 2 (EC 3.4.21.-) | protein | 321 | 11% helix, 34% strand | O00187 |
| B | Mannan-binding lectin serine protease 2 (EC 3.4.21.-) | protein | 315 | 11% helix, 33% strand | O00187 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.53 | 0.77 | 46 | NA, GOL |
| 2 | 225 | 0.52 | 0.77 | 40 | NA, GOL |
| 3 | 105 | 0.44 | 0.78 | 20 | GOL |
| 4 | 121 | 0.39 | 0.74 | 17 | empty |
| 5 | 50 | 0.37 | 0.80 | 16 | empty |
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 1Q3X · Crystal structure of the catalytic region of human MASP-2 · the same entry in another collection · chain A against A, TM-score 1.00
- O00187 · AlphaFold monomer V2.0 prediction for mannan-binding lectin serine protease 2 (O00187) · 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 O00187
- Elsewhere: RCSB PDB 1Q3X · PDBe 1Q3X · UniProt O00187
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