MolNFT v1 · #139178 · protein
Crystal structure of paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltoheptaose
5X7H: “Crystal structure of paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase complexed with…”. X-ray diffraction, 3 ligands (GLC, CA, NA), 4 pockets (best druggability 0.66). MolNFT v1 #139178 on GenesisL1: 3D…
- PDB
- 5X7H
- Type
- protein
- Length
- 700 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cycloisomaltooligosaccharide glucanotransferase
- EC
- 2.4.1.248
- UniProt
- G9MBW2
- Ligands
- GLC, CA, NA
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cycloisomaltooligosaccharide glucanotransferase (EC 2.4.1.248) | protein | 700 | 20% helix, 39% strand | G9MBW2 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 17 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- MLI · Malonate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 543 | 0.66 | 0.77 | 65 | GLC |
| 2 | 62 | 0.36 | 0.78 | 19 | empty |
| 3 | 51 | 0.29 | 0.76 | 13 | empty |
| 4 | 61 | 0.29 | 0.74 | 16 | empty |
Compared structures
- 5X7H · Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide… · 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 G9MBW2
- Elsewhere: RCSB PDB 5X7H · PDBe 5X7H · UniProt G9MBW2
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