Research workbench
E. COLI 5'-nucleotidase mutant I521C labeled with mtsl (intermediate form)
Analyse E. COLI 5'-nucleotidase mutant I521C labeled with mtsl (intermediate form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WWL
- Type
- protein
- Length
- 525 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein usha
- EC
- 3.6.1.45, 3.1.3.5
- UniProt
- P07024
- Ligands
- MTN, ZN, SO4, CO3
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein usha (EC 3.6.1.45, 3.1.3.5) | protein | 525 | 30% helix, 30% strand | P07024 |
Ligands and binding sites
- MTN · S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 9 copies · chains A
- CO3 · Carbonate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 659 | 0.73 | 0.80 | 68 | MTN, SO4, CO3 |
| 2 | 389 | 0.59 | 0.76 | 46 | empty |
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
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 P07024
- Elsewhere: RCSB PDB 4WWL · PDBe 4WWL · UniProt P07024
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