MolNFT v1 · #16459 · protein
Crystal structure of the CUB1-EGF interaction domain of complement protease C1S
1NZI · Complement C1S component: “Crystal structure of the CUB1-EGF interaction domain of complement protease C1S”. X-ray diffraction, 2 ligands (CA, MG), 4 pockets (best druggability 0.36). MolNFT v1 #16459 on GenesisL1: 3D structure…
- PDB
- 1NZI
- Type
- protein
- Length
- 311 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Complement C1S component
- EC
- 3.4.21.42
- UniProt
- P09871
- Ligands
- CA, MG
- Pockets
- 4 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Complement C1S component (EC 3.4.21.42) | protein | 155 | 2% helix, 46% strand | P09871 |
| B | Complement C1S component (EC 3.4.21.42) | protein | 156 | 2% helix, 48% strand | P09871 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.36 | 0.75 | 26 | empty |
| 2 | 80 | 0.32 | 0.74 | 23 | empty |
| 3 | 55 | 0.27 | 0.74 | 17 | empty |
| 4 | 53 | 0.26 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1105 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1NZI · Crystal Structure of the CUB1-EGF Interaction Domain of Complement Protease C1s · 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 1NZI · PDBe 1NZI · UniProt P09871
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