MolNFT v1 · #1203 · protein
Human calcineurin heterodimer
1AUI · SERINE/THREONINE phosphatase 2B: “Human calcineurin heterodimer”. X-ray diffraction, 3 ligands (CA, ZN, FE), 5 pockets (best druggability 0.55). MolNFT v1 #1203 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1AUI
- Type
- protein
- Length
- 543 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE phosphatase 2B
- EC
- 3.1.3.16
- UniProt
- Q08209, P63098
- Ligands
- CA, ZN, FE
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE phosphatase 2B (EC 3.1.3.16) | protein | 378 | 37% helix, 16% strand | Q08209 |
| B | SERINE/THREONINE phosphatase 2B (EC 3.1.3.16) | protein | 165 | 58% helix, 5% strand | P63098 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains B
- ZN · Zinc ion · metal · chains A
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.55 | 0.82 | 29 | empty |
| 2 | 123 | 0.50 | 0.80 | 26 | empty |
| 3 | 123 | 0.48 | 0.79 | 21 | empty |
| 4 | 63 | 0.37 | 0.78 | 17 | empty |
| 5 | 59 | 0.33 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2275 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1AUI · Human calcineurin heterodimer · the same entry in another collection · chain A against A, TM-score 1.00
- Q08209 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2B catalytic… · a predicted model of the same protein · chain A against A, TM-score 0.97
- P63098 · AlphaFold monomer V2.0 prediction for calcineurin subunit B type 1 (P63098) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q08209
- Every structure of UniProt P63098
- Elsewhere: RCSB PDB 1AUI · PDBe 1AUI · UniProt Q08209 · UniProt P63098
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.