MolNFT v1 · #84858 · protein
Crystal structure of human galectin-7 in complex with a galactose-benzylphosphate inhibitor
3ZXE: “Crystal structure of human galectin-7 in complex with a galactose-benzylphosphate inhibitor”. X-ray diffraction, 1 ligand (PGZ), 2 pockets (best druggability 0.39). MolNFT v1 #84858 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3ZXE
- Type
- protein
- Length
- 265 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin-7
- UniProt
- P47929
- Ligands
- PGZ
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Galectin-7 | protein | 132 | 2% helix, 55% strand | P47929 |
| B | Galectin-7 | protein | 133 | 2% helix, 55% strand | P47929 |
Ligands and binding sites
- PGZ · Methyl 2-O-[(S)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-{[(4-methylphenyl)carbonyl]amino}-1-thio-beta-D-galactopyranoside · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.39 | 0.79 | 20 | empty |
| 2 | 57 | 0.26 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 763 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3ZXE · Crystal structure of Human Galectin-7 in complex with a galactose- benzylphosphate… · the same entry in another collection · chain A against A, TM-score 1.00
- P47929 · AlphaFold monomer V2.0 prediction for galectin-7 (P47929) · 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 P47929
- Elsewhere: RCSB PDB 3ZXE · PDBe 3ZXE · UniProt P47929
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