MolNFT v1 · #157786 · protein
X-ray structure of a secreted C11 cysteine protease from bacteroides thetaiotaomicron "iotapain
6NAG · Clostripain-related protein: “X-ray structure of a secreted C11 cysteine protease from bacteroides thetaiotaomicron "iotapain”. X-ray diffraction, 1 ligand (PRO), 7 pockets (best druggability 0.55). MolNFT v1 #157786 on GenesisL1…
- PDB
- 6NAG
- Type
- protein
- Length
- 701 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Clostripain-related protein
- UniProt
- Q8A9T8
- Ligands
- PRO
- Pockets
- 7 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Clostripain-related protein | protein | 351 | 37% helix, 25% strand | Q8A9T8 |
| B | Clostripain-related protein | protein | 350 | 36% helix, 26% strand | Q8A9T8 |
Ligands and binding sites
- PRO · Proline · ligand · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.55 | 0.79 | 33 | empty |
| 2 | 161 | 0.53 | 0.80 | 29 | empty |
| 3 | 79 | 0.43 | 0.80 | 14 | empty |
| 4 | 90 | 0.42 | 0.78 | 15 | empty |
| 5 | 108 | 0.36 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 475 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6NAG · X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron… · 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 Q8A9T8
- Elsewhere: RCSB PDB 6NAG · PDBe 6NAG · UniProt Q8A9T8
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