MolNFT v1 · #93501 · protein
Human cytosolic 5'-nucleotidase II in complex with anthraquinone-2,6- disulfonic acid
4H4B · Cytosolic purine 5'-nucleotidase: “Human cytosolic 5'-nucleotidase II in complex with anthraquinone-2,6- disulfonic acid”. X-ray diffraction, 3 ligands (11H, MG, SO4), 5 pockets (best druggability 0.68). MolNFT v1 #93501 on…
- PDB
- 4H4B
- Type
- protein
- Length
- 468 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosolic purine 5'-nucleotidase
- EC
- 3.1.3.5
- UniProt
- P49902
- Ligands
- 11H, MG, SO4
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytosolic purine 5'-nucleotidase (EC 3.1.3.5) | protein | 468 | 42% helix, 17% strand | P49902 |
Ligands and binding sites
- 11H · 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- GOL · Glycerol · additive · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.68 | 0.91 | 27 | empty |
| 2 | 463 | 0.68 | 0.80 | 46 | 11H, MG, SO4 |
| 3 | 159 | 0.63 | 0.85 | 24 | empty |
| 4 | 280 | 0.57 | 0.77 | 28 | empty |
| 5 | 169 | 0.53 | 0.78 | 16 | empty |
Compared structures
- 4H4B · Human cytosolic 5'-nucleotidase II in complex with Anthraqui -2,6- disulfonic acid · the same entry in another collection · chain A against A, TM-score 1.00
- P49902 · AlphaFold monomer V2.0 prediction for cytosolic purine 5'-nucleotidase (P49902) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P49902
- Elsewhere: RCSB PDB 4H4B · PDBe 4H4B · UniProt P49902
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