MolNFT v1 · #3022 · protein
Crystals of demetallized concanavalin a soaked with zinc have a zinc ion bound in the S1 site
1CES: “Crystals of demetallized concanavalin a soaked with zinc have a zinc ion bound in the S1 site”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.71). MolNFT v1 #3022 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1CES
- Type
- protein
- Length
- 446 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Concanavalin a
- UniProt
- P02866
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Concanavalin a | protein | 223 | 4% helix, 51% strand | P02866 |
| B | Concanavalin a | protein | 223 | 3% helix, 51% strand | P02866 |
Ligands and binding sites
- ZN · Zinc ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.71 | 0.98 | 17 | empty |
| 2 | 51 | 0.31 | 0.77 | 13 | ZN |
Interfaces
1 interface between chains.
- A–B · 1173 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 1CES · Crystals of demetallized concanavalin a soaked with zinc have a zinc ion bound in the S1… · the same entry in another collection · chain A against A, TM-score 1.00
- P02866 · AlphaFold monomer V2.0 prediction for concanavalin-a (P02866) · a predicted model of the same protein · chain B against A, TM-score 0.50
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 P02866
- Elsewhere: RCSB PDB 1CES · PDBe 1CES · UniProt P02866
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