MolNFT v1 · #88777 · protein
Clostridial cysteine protease CWP84 C116A after propeptide cleavage
4D5A · Cell surface protein (putative cell surface-associated…: “Clostridial cysteine protease CWP84 C116A after propeptide cleavage”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.78). MolNFT v1 #88777 on GenesisL1: 3D…
- PDB
- 4D5A
- Type
- protein
- Length
- 812 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell surface protein (putative cell surface-associated cysteine protease)
- EC
- 3.4.22.15
- UniProt
- C9YQ11
- Ligands
- CA
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cell surface protein (putative cell surface-associated cysteine protease) (EC 3.4.22.15) | protein | 406 | 15% helix, 36% strand | C9YQ11 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
- PGE · Triethylene glycol · additive · 8 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1023 | 0.78 | 0.80 | 85 | PGE |
| 2 | 136 | 0.41 | 0.75 | 22 | empty |
| 3 | 125 | 0.41 | 0.76 | 27 | empty |
| 4 | 108 | 0.39 | 0.76 | 22 | empty |
| 5 | 112 | 0.36 | 0.73 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 355 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4D5A · Clostridial Cysteine protease Cwp84 C116A after propeptide cleavage · the same entry in another collection · chain A against A, TM-score 1.00
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 C9YQ11
- Elsewhere: RCSB PDB 4D5A · PDBe 4D5A · UniProt C9YQ11
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