MolNFT v1 · #181366 · protein
Ruminococcus bromii AMY12-D392A with 63-a-D-glucosyl-maltotriosyl- maltotriose
7LST · Pullulanase: “Ruminococcus bromii AMY12-D392A with 63-a-D-glucosyl-maltotriosyl- maltotriose”. X-ray diffraction, 4 ligands (GLC, BGC, CA), 9 pockets (best druggability 0.65). MolNFT v1 #181366 on GenesisL1: 3D structure, binding…
- PDB
- 7LST
- Type
- protein
- Length
- 763 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pullulanase
- EC
- 3.2.1.41
- UniProt
- A0A2N0UU23
- Ligands
- GLC, BGC, CA, NA
- Pockets
- 9 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pullulanase (EC 3.2.1.41) | protein | 763 | 25% helix, 26% strand | A0A2N0UU23 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · additive · 11 copies · chains A
- ACT · Acetate ion · additive · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.65 | 0.90 | 22 | GOL |
| 2 | 59 | 0.57 | 0.90 | 23 | ACT |
| 3 | 229 | 0.55 | 0.77 | 32 | BGC, GLC, ACT |
| 4 | 203 | 0.54 | 0.78 | 25 | GOL |
| 5 | 55 | 0.48 | 0.86 | 23 | GOL |
Compared structures
- 7LST · Ruminococcus bromii Amy12-D392A with 63-a-D-glucosyl-maltotriosyl-maltotriose · the same entry in another collection · 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 A0A2N0UU23
- Elsewhere: RCSB PDB 7LST · PDBe 7LST · UniProt A0A2N0UU23
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