MolNFT v1 · #55432 · protein
Structure of neisseria los-specific sialyltransferase (nst), in complex with cmp-3F-NEU5AC.
2YK7 · Cmp-N-acetylneuraminate-beta-galactosamide-alpha-2,3…: “Structure of neisseria los-specific sialyltransferase (nst), in complex with cmp-3F-NEU5AC.”. X-ray diffraction, 1 ligand (CSF), 2 pockets (best druggability 0.55). MolNFT v1…
- PDB
- 2YK7
- Type
- protein
- Length
- 322 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cmp-N-acetylneuraminate-beta-galactosamide-alpha-2,3- sialyltransferase
- EC
- 2.4.99.-
- UniProt
- P72097
- Ligands
- CSF
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cmp-N-acetylneuraminate-beta-galactosamide-alpha-2,3- sialyltransferase (EC 2.4.99.-) | protein | 322 | 36% helix, 21% strand | P72097 |
Ligands and binding sites
- CSF · Cytidine-5'-monophosphate-3-fluoro-N-acetyl-neuraminic acid · ligand · chains A
- 1PE · Pentaethylene glycol · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
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 | 243 | 0.55 | 0.77 | 40 | CSF |
| 2 | 173 | 0.48 | 0.76 | 21 | empty |
Compared structures
- 2YK7 · Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P72097 · AlphaFold monomer V2.0 prediction for N-acetyllactosaminide alpha-2,3-sialyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.66
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 P72097
- Elsewhere: RCSB PDB 2YK7 · PDBe 2YK7 · UniProt P72097
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