MolNFT v1 · #14053 · protein
Crystal structure of T. maritima 4-alpha- GLUCANOTRANSFERASE/ACARBOSE complex
1LWJ · 4-alpha-glucanotransferase: “Crystal structure of T. maritima 4-alpha- GLUCANOTRANSFERASE/ACARBOSE complex”. X-ray diffraction, 2 ligands (ACG, CA), 9 pockets (best druggability 0.76). MolNFT v1 #14053 on GenesisL1: 3D structure…
- PDB
- 1LWJ
- Type
- protein
- Length
- 882 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-alpha-glucanotransferase
- EC
- 2.4.1.25
- UniProt
- P80099
- Ligands
- ACG, CA
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-alpha-glucanotransferase (EC 2.4.1.25) | protein | 441 | 32% helix, 20% strand | P80099 |
Ligands and binding sites
- ACG · Modified acarbose pentasaccharide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 600 | 0.76 | 0.82 | 51 | ACG |
| 2 | 605 | 0.75 | 0.81 | 45 | ACG |
| 3 | 169 | 0.51 | 0.78 | 26 | empty |
| 4 | 174 | 0.50 | 0.77 | 29 | empty |
| 5 | 52 | 0.36 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1323 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1LWJ · Crystal structure of T. maritima 4-alpha-GLUCANOTRANSFERASE/ACARBOSE complex · the same entry in another collection · chain A against A, TM-score 1.00
- P80099 · AlphaFold monomer V2.0 prediction for 4-alpha-glucanotransferase (P80099) · 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 P80099
- Elsewhere: RCSB PDB 1LWJ · PDBe 1LWJ · UniProt P80099
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