MolNFT v1 · #53314 · protein
Crystal structure of sialic acid synthase neub-inhibitor complex
2WQP · Polysialic acid capsule biosynthesis protein siac: “Crystal structure of sialic acid synthase neub-inhibitor complex”. X-ray diffraction, 3 ligands (WQP, LMR, MN), 1 pocket (best druggability 0.65). MolNFT v1 #53314 on GenesisL1: 3D…
- PDB
- 2WQP
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polysialic acid capsule biosynthesis protein siac
- UniProt
- Q7DDU0
- Ligands
- WQP, LMR, MN
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polysialic acid capsule biosynthesis protein siac | protein | 348 | 40% helix, 19% strand | Q7DDU0 |
Ligands and binding sites
- WQP · 5-(acetylamino)-3,5-dideoxy-2-O-phosphono-D-erythro-L-manno-nononic acid · ligand · chains A
- LMR · (2S)-2-hydroxybutanedioic acid · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.65 | 0.80 | 39 | WQP, MN |
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 2WQP · Crystal structure of sialic acid synthase NeuB-inhibitor complex · 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 Q7DDU0
- Elsewhere: RCSB PDB 2WQP · PDBe 2WQP · UniProt Q7DDU0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.