MolNFT v1 · #75052 · protein
Crystal structure of a putative adhesin (BF0245) from bacteroides fragilis nctc 9343 at 2.07 a resolution
3PET: “Crystal structure of a putative adhesin (BF0245) from bacteroides fragilis nctc 9343 at 2.07 a resolution”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.38). MolNFT v1 #75052 on GenesisL1: 3D structure, binding…
- PDB
- 3PET
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative adhesin
- UniProt
- Q5LIP7
- Ligands
- CL
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative adhesin | protein | 218 | 2% helix, 61% strand | Q5LIP7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 14 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.38 | 0.75 | 20 | empty |
| 2 | 53 | 0.26 | 0.73 | 15 | PG4 |
Interfaces
1 interface between chains.
- A–B · 1153 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3PET · Crystal structure of a putative adhesin (BF0245) from Bacteroides fragilis NCTC 9343 at… · 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 Q5LIP7
- Elsewhere: RCSB PDB 3PET · PDBe 3PET · UniProt Q5LIP7
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