MolNFT v1 · #60215 · protein
Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O- diacetyl sialic acid
3CL5: “Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O- diacetyl sialic acid”. X-ray diffraction, 3 ligands (SIO, NAG, K). MolNFT v1 #60215 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3CL5
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin-esterase
- EC
- 3.1.1.53
- UniProt
- P15776
- Ligands
- SIO, NAG, K
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin-esterase (EC 3.1.1.53) | protein | 358 | 16% helix, 37% strand | P15776 |
Ligands and binding sites
- SIO · methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
- K · Potassium ion · metal · chains A
- ACY · Acetic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 6 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 3CL5 · Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O-diacetyl sialic acid · 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 P15776
- Elsewhere: RCSB PDB 3CL5 · PDBe 3CL5 · UniProt P15776
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