MolNFT v1 · #95823 · protein
The X-ray crystal structure of human complement protease C1S zymogen
4J1Y · Complement C1S subcomponent: “The X-ray crystal structure of human complement protease C1S zymogen”. X-ray diffraction, 8 pockets (best druggability 0.61). MolNFT v1 #95823 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4J1Y
- Type
- protein
- Length
- 740 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Complement C1S subcomponent
- EC
- 3.4.21.42
- UniProt
- P09871
- Pockets
- 8 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Complement C1S subcomponent (EC 3.4.21.42) | protein | 378 | 10% helix, 35% strand | P09871 |
| B | Complement C1S subcomponent (EC 3.4.21.42) | protein | 362 | 9% helix, 37% strand | P09871 |
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 513 | 0.61 | 0.74 | 62 | empty |
| 2 | 125 | 0.50 | 0.80 | 23 | empty |
| 3 | 126 | 0.50 | 0.80 | 22 | empty |
| 4 | 234 | 0.49 | 0.75 | 27 | empty |
| 5 | 150 | 0.44 | 0.76 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 458 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 disulfide (disulfide).
Compared structures
- 4J1Y · The X-ray crystal structure of human complement protease C1s zymogen · the same entry in another collection · chain A against A, TM-score 1.00
- P09871 · AlphaFold monomer V2.0 prediction for complement C1S subcomponent (P09871) · 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 P09871
- Elsewhere: RCSB PDB 4J1Y · PDBe 4J1Y · UniProt P09871
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