MolNFT v1 · #9267 · protein
Crystal structure of the complex of concanavalin a with a tripeptide ypy
1HQW: “Crystal structure of the complex of concanavalin a with a tripeptide ypy”. X-ray diffraction, 3 ligands (PTD, MN, CA), 1 pocket (best druggability 0.27). MolNFT v1 #9267 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1HQW
- Type
- protein
- Length
- 240 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Concanavalin a; Ypy
- UniProt
- P81461
- Ligands
- PTD, MN, CA
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Concanavalin a | protein | 237 | 5% helix, 47% strand | P81461 |
| B | Ypy | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- PTD · Pentanedial · ligand · chains A, B
- MN · Manganese (II) ion · metal · chains A
- CA · Calcium ion · metal · 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 | 53 | 0.27 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 153 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
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 P81461
- Elsewhere: RCSB PDB 1HQW · PDBe 1HQW · UniProt P81461
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