MolNFT v1 · #60511 · protein
Crystal complex of N-terminal human maltase-glucoamylase with casuarine
3CTT: “Crystal complex of N-terminal human maltase-glucoamylase with casuarine”. X-ray diffraction, 3 ligands (3CU, NAG, SO4), 11 pockets (best druggability 0.72). MolNFT v1 #60511 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3CTT
- Type
- protein
- Length
- 862 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltase-glucoamylase
- EC
- 3.2.1.20
- UniProt
- O43451
- Ligands
- 3CU, NAG, SO4
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltase-glucoamylase (EC 3.2.1.20) | protein | 862 | 21% helix, 31% strand | O43451 |
Ligands and binding sites
- 3CU · Casuarine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 9 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.72 | 0.98 | 20 | empty |
| 2 | 87 | 0.70 | 0.94 | 21 | empty |
| 3 | 301 | 0.67 | 0.82 | 45 | GOL |
| 4 | 143 | 0.49 | 0.79 | 24 | empty |
| 5 | 91 | 0.48 | 0.81 | 20 | 3CU, GOL |
Modifications
Observed in the structure: 2 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3CTT · Crystal complex of N-terminal Human Maltase-Glucoamylase with Casuarine · the same entry in another collection · chain A against A, TM-score 1.00
- O43451 · AlphaFold monomer V2.0 prediction for maltase-glucoamylase, intestinal (O43451) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 O43451
- Elsewhere: RCSB PDB 3CTT · PDBe 3CTT · UniProt O43451
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