MolNFT v1 · #103310 · protein
The structure of bdca (yjgi) from E. COLI
4PCV: “The structure of bdca (yjgi) from E. COLI”. X-ray diffraction, 3 pockets (best druggability 0.47). MolNFT v1 #103310 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PCV
- Type
- protein
- Length
- 376 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bdca (yjgi)
- UniProt
- N3A304
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bdca (yjgi) | protein | 187 | 50% helix, 19% strand | N3A304 |
| B | Bdca (yjgi) | protein | 189 | 48% helix, 19% strand | N3A304 |
Ligands and binding sites
- PGE · Triethylene glycol · additive · 4 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.47 | 0.76 | 27 | empty |
| 2 | 153 | 0.47 | 0.77 | 26 | empty |
| 3 | 88 | 0.35 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1113 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4PCV · The structure of BdcA (YjgI) from E. coli · 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 N3A304
- Elsewhere: RCSB PDB 4PCV · PDBe 4PCV · UniProt N3A304
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