MolNFT v1 · #107202 · protein
Sco glgei-V279S in complex with reaction intermediate azasugar
4U2Y · Alpha-1,4-GLUCAN:MALTOSE-1-phosphate maltosyltransferase 1: “Sco glgei-V279S in complex with reaction intermediate azasugar”. X-ray diffraction, 1 ligand (RZM), 14 pockets (best druggability 0.76). MolNFT v1 #107202 on GenesisL1: 3D…
- PDB
- 4U2Y
- Type
- protein
- Length
- 1,298 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1,4-GLUCAN:MALTOSE-1-phosphate maltosyltransferase 1
- EC
- 2.4.99.16
- UniProt
- Q9L1K2
- Ligands
- RZM
- Pockets
- 14 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-1,4-GLUCAN:MALTOSE-1-phosphate maltosyltransferase 1 (EC 2.4.99.16) | protein | 649 | 34% helix, 25% strand | Q9L1K2 |
Ligands and binding sites
- RZM · (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 761 | 0.76 | 0.80 | 50 | empty |
| 2 | 947 | 0.75 | 0.79 | 104 | empty |
| 3 | 770 | 0.75 | 0.80 | 52 | empty |
| 4 | 276 | 0.68 | 0.83 | 36 | RZM |
| 5 | 285 | 0.67 | 0.83 | 45 | RZM |
Interfaces
1 interface between chains.
- A–B · 2276 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 4U2Y · Sco GlgEI-V279S in Complex with Reaction Intermediate Azasugar · the same entry in another collection · chain A against A, TM-score 1.00
- Q9L1K2 · AlphaFold monomer V2.0 prediction for alpha-1,4-GLUCAN:MALTOSE-1-phosphate… · a predicted model of the same protein · chain B 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 Q9L1K2
- Elsewhere: RCSB PDB 4U2Y · PDBe 4U2Y · UniProt Q9L1K2
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