MolNFT v1 · #93490 · protein
Crystal structure of a putative cell adhesion protein (BF2867) from bacteroides fragilis nctc 9343 at 2.57 a resolution
4H40: “Crystal structure of a putative cell adhesion protein (BF2867) from bacteroides fragilis nctc 9343 at 2.57 a…”. X-ray diffraction, 1 ligand (CL), 7 pockets (best druggability 0.70). MolNFT v1 #93490 on GenesisL1: 3D structure…
- PDB
- 4H40
- Type
- protein
- Length
- 604 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cell adhesion protein
- UniProt
- Q5LBF9
- Ligands
- CL
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cell adhesion protein | protein | 300 | 2% helix, 51% strand | Q5LBF9 |
| B | Putative cell adhesion protein | protein | 304 | 3% helix, 50% strand | Q5LBF9 |
Ligands and binding sites
- CL · Chloride ion · ion · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.70 | 0.83 | 37 | empty |
| 2 | 95 | 0.58 | 0.86 | 20 | empty |
| 3 | 328 | 0.55 | 0.75 | 46 | CL |
| 4 | 132 | 0.53 | 0.81 | 18 | empty |
| 5 | 191 | 0.52 | 0.78 | 29 | CL |
Interfaces
1 interface between chains.
- A–B · 1349 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4H40 · Crystal structure of a putative cell adhesion protein (BF2867) from Bacteroides fragilis… · 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 Q5LBF9
- Elsewhere: RCSB PDB 4H40 · PDBe 4H40 · UniProt Q5LBF9
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