MolNFT v1 · #83599 · protein
D308A mutant of bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltohexaose
3WNL: “D308A mutant of bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with…”. X-ray diffraction, 5 ligands (GLC, BGC, CA), 2 pockets (best druggability 0.66). MolNFT v1 #83599 on GenesisL1: 3D…
- PDB
- 3WNL
- Type
- protein
- Length
- 701 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cycloisomaltooligosaccharide glucanotransferase
- EC
- 2.4.1.248
- UniProt
- P94286
- Ligands
- GLC, BGC, CA, NA, SO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cycloisomaltooligosaccharide glucanotransferase (EC 2.4.1.248) | protein | 701 | 19% helix, 39% strand | P94286 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 7 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 8 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 513 | 0.66 | 0.77 | 58 | BGC, GLC |
| 2 | 104 | 0.41 | 0.77 | 19 | MES |
Compared structures
- 3WNL · D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase… · the same entry in another collection · chain A against A, TM-score 1.00
- P94286 · AlphaFold monomer V2.0 prediction for cycloisomaltooligosaccharide glucanotransferase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P94286
- Elsewhere: RCSB PDB 3WNL · PDBe 3WNL · UniProt P94286
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