MolNFT v1 · #164544 · protein
Asr alternansucrase in complex with panose
6T16: “Asr alternansucrase in complex with panose”. X-ray diffraction, 2 ligands (GLC, CA), 20 pockets (best druggability 0.77). MolNFT v1 #164544 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6T16
- Type
- protein
- Length
- 2,461 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alternansucrase
- EC
- 2.4.1.140
- UniProt
- Q9RE05
- Ligands
- GLC, CA
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Alternansucrase (EC 2.4.1.140) | protein | 1186 | 23% helix, 24% strand | Q9RE05 |
| A | Alternansucrase (EC 2.4.1.140) | protein | 1275 | 21% helix, 26% strand | Q9RE05 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 12 copies · chains B, A
- CA · Calcium ion · metal · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 619 | 0.77 | 0.83 | 78 | empty |
| 2 | 124 | 0.75 | 0.94 | 23 | empty |
| 3 | 72 | 0.72 | 0.97 | 21 | empty |
| 4 | 145 | 0.72 | 0.91 | 27 | empty |
| 5 | 67 | 0.72 | 0.98 | 20 | empty |
Interfaces
1 interface between chains.
- B–A · 1100 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 glycan (glycosylation).
Compared structures
- 6T16 · ASR Alternansucrase in complex with panose · the same entry in another collection · chain B against B, 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 Q9RE05
- Elsewhere: RCSB PDB 6T16 · PDBe 6T16 · UniProt Q9RE05
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