MolNFT v1 · #113874 · protein
Crystal structure of calsepa lectin in complex with bisected glycan
5AV7: “Crystal structure of calsepa lectin in complex with bisected glycan”. X-ray diffraction, 3 ligands (NAG, MAN, MMA). MolNFT v1 #113874 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AV7
- Type
- protein
- Length
- 584 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lectin
- UniProt
- P93114
- Ligands
- NAG, MAN, MMA
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lectin | protein | 141 | 0% helix, 65% strand | P93114 |
| B, C | Lectin | protein | 148 | 0% helix, 61% strand | P93114 |
| D | Lectin | protein | 147 | 0% helix, 62% strand | P93114 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B, C, D
- MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A, B, C, D
- MMA · methyl alpha-D-mannopyranoside · sugar · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
3 interfaces between chains.
- C–D · 108 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 104 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 15 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5AV7 · Crystal structure of Calsepa lectin in complex with bisected glycan · the same entry in another collection · chain A against A, TM-score 1.00
- P93114 · AlphaFold monomer V2.0 prediction for jacalin-related lectin calsepa (P93114) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P93114
- Elsewhere: RCSB PDB 5AV7 · PDBe 5AV7 · UniProt P93114
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