MolNFT v1 · #53309 · protein
Crystal structure of sure protein from aquifex aeolicus
2WQK · 5'-nucleotidase sure: “Crystal structure of sure protein from aquifex aeolicus”. X-ray diffraction, 2 ligands (NA, SO4), 4 pockets (best druggability 0.72). MolNFT v1 #53309 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2WQK
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-nucleotidase sure
- EC
- 3.1.3.5
- UniProt
- O67004
- Ligands
- NA, SO4
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 5'-nucleotidase sure (EC 3.1.3.5) | protein | 248 | 31% helix, 31% strand | O67004 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 869 | 0.72 | 0.77 | 75 | SO4 |
| 2 | 60 | 0.72 | 0.98 | 22 | empty |
| 3 | 201 | 0.50 | 0.76 | 27 | empty |
| 4 | 190 | 0.48 | 0.76 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 3598 Ų buried · 45 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 O67004
- Elsewhere: RCSB PDB 2WQK · PDBe 2WQK · UniProt O67004
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