MolNFT v1 · #99912 · protein
Crystal structure of sulfamidase
4MHX · N-sulphoglucosamine sulphohydrolase: “Crystal structure of sulfamidase”. X-ray diffraction, 3 ligands (NAG, CA, MG), 10 pockets (best druggability 0.77). MolNFT v1 #99912 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MHX
- Type
- protein
- Length
- 965 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-sulphoglucosamine sulphohydrolase
- EC
- 3.10.1.1
- UniProt
- P51688
- Ligands
- NAG, CA, MG
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-sulphoglucosamine sulphohydrolase (EC 3.10.1.1) | protein | 483 | 30% helix, 18% strand | P51688 |
| B | N-sulphoglucosamine sulphohydrolase (EC 3.10.1.1) | protein | 482 | 30% helix, 18% strand | P51688 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 802 | 0.77 | 0.81 | 107 | empty |
| 2 | 584 | 0.75 | 0.82 | 78 | empty |
| 3 | 200 | 0.52 | 0.77 | 32 | empty |
| 4 | 183 | 0.51 | 0.77 | 26 | empty |
| 5 | 54 | 0.43 | 0.83 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1951 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 glycan, 4 disulfide, 2 modified (N-glycosylation, disulfide, nonstandard).
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 P51688
- Elsewhere: RCSB PDB 4MHX · PDBe 4MHX · UniProt P51688
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.