MolNFT v1 · #30877 · protein
Xray structure of blc dimer in complex with vaccenic acid
2ACO · Outer membrane lipoprotein blc: “Xray structure of blc dimer in complex with vaccenic acid”. X-ray diffraction, 1 ligand (VCA), 2 pockets (best druggability 0.79). MolNFT v1 #30877 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2ACO
- Type
- protein
- Length
- 334 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane lipoprotein blc
- UniProt
- P0A901
- Ligands
- VCA
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer membrane lipoprotein blc | protein | 168 | 14% helix, 45% strand | P0A901 |
| B | Outer membrane lipoprotein blc | protein | 166 | 14% helix, 46% strand | P0A901 |
Ligands and binding sites
- VCA · Vaccenic acid · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 487 | 0.79 | 0.86 | 71 | VCA |
| 2 | 162 | 0.49 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 804 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
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 P0A901
- Elsewhere: RCSB PDB 2ACO · PDBe 2ACO · UniProt P0A901
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