Research workbench
Crystal structure of bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase
Analyse Crystal structure of bacillus circulans T-3040 cycloisomaltooligosaccharide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WNK
- Type
- protein
- Length
- 712 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
- CD, CA, NA
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cycloisomaltooligosaccharide glucanotransferase (EC 2.4.1.248) | protein | 712 | 19% helix, 38% strand | P94286 |
Ligands and binding sites
- CD · Cadmium ion · metal · 10 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.57 | 0.80 | 26 | CD, GOL |
| 2 | 203 | 0.46 | 0.74 | 28 | CD |
| 3 | 120 | 0.43 | 0.77 | 18 | NA |
| 4 | 60 | 0.38 | 0.80 | 17 | empty |
| 5 | 56 | 0.34 | 0.78 | 11 | empty |
Compared structures
- 3WNK · Crystal Structure of Bacillus circulans T-3040 cycloisomaltooligosaccharide… · 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 0.97
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 3WNK · PDBe 3WNK · UniProt P94286
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