Research workbench
Crystal structure analysis of N-acetylneuraminate lyase from haemophilus influenzae: crystal form II
Analyse Crystal structure analysis of N-acetylneuraminate lyase from haemophilus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1F6K
- Type
- protein
- Length
- 578 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylneuraminate lyase
- EC
- 4.1.3.3
- UniProt
- P44539
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylneuraminate lyase (EC 4.1.3.3) | protein | 293 | 53% helix, 14% strand | P44539 |
| C | N-acetylneuraminate lyase (EC 4.1.3.3) | protein | 285 | 54% helix, 13% strand | P44539 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.60 | 0.80 | 24 | SO4 |
| 2 | 106 | 0.46 | 0.79 | 21 | SO4 |
| 3 | 67 | 0.37 | 0.78 | 13 | GOL |
| 4 | 65 | 0.34 | 0.76 | 13 | empty |
| 5 | 62 | 0.29 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–C · 1120 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1F6K · Crystal structure analysis of N-acetylneuraminate lyase from haemophilus influenzae… · the same entry in another collection · chain C against C, TM-score 1.00
- P44539 · AlphaFold monomer V2.0 prediction for N-acetylneuraminate lyase (P44539) · a predicted model of the same protein · 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 P44539
- Elsewhere: RCSB PDB 1F6K · PDBe 1F6K · UniProt P44539
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