MolNFT v1 · #68736 · protein
Crystal structure of putative S41 protease (YP_211611.1) from bacteroides fragilis nctc 9343 at 2.00 a resolution
3K50: “Crystal structure of putative S41 protease (YP_211611.1) from bacteroides fragilis nctc 9343 at 2.00 a…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.58). MolNFT v1 #68736 on GenesisL1: 3D structure, binding…
- PDB
- 3K50
- Type
- protein
- Length
- 389 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative S41 protease
- UniProt
- Q5LDX8
- Ligands
- CL
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative S41 protease | protein | 389 | 23% helix, 30% strand | Q5LDX8 |
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 | 403 | 0.58 | 0.75 | 59 | empty |
| 2 | 95 | 0.39 | 0.76 | 18 | empty |
| 3 | 58 | 0.34 | 0.77 | 12 | empty |
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 3K50 · Crystal structure of Putative S41 protease (YP_211611.1) from Bacteroides fragilis NCTC… · 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 Q5LDX8
- Elsewhere: RCSB PDB 3K50 · PDBe 3K50 · UniProt Q5LDX8
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