MolNFT v1 · #9415 · protein
Crystal structures of hevamine, a plant defence protein with chitinase and lysozyme activity, and its complex with an inhibitor
1HVQ · Hevamine a: “Crystal structures of hevamine, a plant defence protein with chitinase and lysozyme activity, and its complex…”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.35). MolNFT v1 #9415 on GenesisL1: 3D…
- PDB
- 1HVQ
- Type
- protein
- Length
- 273 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hevamine a
- EC
- 3.2.1.14, 3.2.1.17
- UniProt
- P23472
- Ligands
- NAG
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hevamine a (EC 3.2.1.14, 3.2.1.17) | protein | 273 | 37% helix, 23% strand | P23472 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.35 | 0.75 | 22 | NAG |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 1HVQ · Crystal structures of hevamine, a plant defence protein with chitinase and lysozyme… · the same entry in another collection · chain A against A, TM-score 1.00
- P23472 · AlphaFold monomer V2.0 prediction for hevamine-a (P23472) · 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 P23472
- Elsewhere: RCSB PDB 1HVQ · PDBe 1HVQ · UniProt P23472
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