MolNFT v1 · #88667 · protein
Crystal structure of a putative protease from bacteroides thetaiotaomicron.
4D1Y · Putative protease I: “Crystal structure of a putative protease from bacteroides thetaiotaomicron.”. X-ray diffraction, 2 ligands (RBF, ZN), 3 pockets (best druggability 0.54). MolNFT v1 #88667 on GenesisL1: 3D structure, binding…
- PDB
- 4D1Y
- Type
- protein
- Length
- 350 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative protease I
- UniProt
- Q8A8A4
- Ligands
- RBF, ZN
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative protease I | protein | 175 | 33% helix, 25% strand | Q8A8A4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.54 | 0.77 | 31 | RBF |
| 2 | 83 | 0.34 | 0.75 | 18 | ZN |
| 3 | 72 | 0.32 | 0.74 | 19 | ZN |
Interfaces
1 interface between chains.
- A–B · 915 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4D1Y · Crystal structure of a putative 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 Q8A8A4
- Elsewhere: RCSB PDB 4D1Y · PDBe 4D1Y · UniProt Q8A8A4
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