UniProt B3PEE6
Oligosaccharide 4-alpha-D-glucosyltransferase (B3PEE6)
Oligosaccharide 4-alpha-D-glucosyltransferase (UniProt B3PEE6), EC 2.4.1.161: 21 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 52 pockets. Binding sites, druggability and experiment against…
- UniProt
- B3PEE6
- Protein
- Oligosaccharide 4-alpha-D-glucosyltransferase
- EC
- 2.4.1.161
- Experimental structures
- 21
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 52 · 6 records with a druggable one
Structures
22 records of B3PEE6 in the MolNFT archive: 21 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4B9Y | Crystal Structure of Apo Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31 | x-ray diffraction | A | — | — |
| 4B9Y | Crystal structure of apo AGD31B, alpha-transglucosylase in glycoside hydrolase family 31 | x-ray diffraction | A | — | — |
| 4B9Z | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with Acarbose | x-ray diffraction | A | — | — |
| 4B9Z | Crystal structure of AGD31B, alpha-transglucosylase, complexed with acarbose | x-ray diffraction | A | — | — |
| 4BA0 | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with 5F-alpha-GlcF | x-ray diffraction | A | — | — |
| 4BA0 | Crystal structure of AGD31B, alpha-transglucosylase, complexed with 5F-alpha-glcf | x-ray diffraction | A | — | — |
| 5I23 | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex… | x-ray diffraction | A | SO4, 66V | 7 (best 0.56) |
| 5I23 | Crystal structure of AGD31B, alpha-transglucosylase in glycoside hydrolase family 31, in complex… | x-ray diffraction | A | — | — |
| 5I24 | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex… | x-ray diffraction | A | SO4, 66U | — |
| 5I24 | Crystal structure of AGD31B, alpha-transglucosylase in glycoside hydrolase family 31, in complex… | x-ray diffraction | A | — | — |
| 5NPB | Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in… | x-ray diffraction | A | SO4, 93Z, OXL | — |
| 5NPB | Crystal structure of CJAGD31B (alpha-transglucosylase from glycoside hydrolase family 31) in… | x-ray diffraction | A | SO4, 93Z, OXL | — |
| 5NPC | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside… | x-ray diffraction | A | SO4, 94E, OXL | — |
| 5NPC | Crystal structure of D412N nucleophile mutant CJAGD31B (alpha- transglucosylase from glycoside… | x-ray diffraction | A | SO4, 94E, OXL | — |
| 5NPD | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside… | x-ray diffraction | A | SO4, 94B, OXL | 6 (best 0.57) |
| 5NPD | Crystal structure of D412N nucleophile mutant CJAGD31B (alpha- transglucosylase from glycoside… | x-ray diffraction | A | SO4, 94B, OXL | — |
| 5NPE | Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in… | x-ray diffraction | A | SO4, 948, OXL | — |
| 5NPE | Crystal structure of CJAGD31B (alpha-transglucosylase from glycoside hydrolase family 31) in… | x-ray diffraction | A | SO4, 948, OXL | — |
| 7P4C | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex… | x-ray diffraction | AAA | OXL, 5OV, SO4 | 5 (best 0.58) |
| 7P4D | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex… | x-ray diffraction | AAA | OXL, 56I, SO4 | 7 (best 0.59) |
| 8RW3 | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2… | x-ray diffraction | C, A, B | GDQ, OXL, SO4 | 20 (best 0.62) |
| B3PEE6 | AlphaFold monomer V2.0 prediction for oligosaccharide 4-alpha-D- glucosyltransferase (B3PEE6) | predicted | A | — | 7 (best 0.61) |
Ligands
- SO4 · Sulfate ion · in 13 records
- OXL · Oxalate ion · in 11 records
- 93Z · [(1~{S},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4, 5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate · in 2 records
- 948 · (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol · in 2 records
- 94B · (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol · in 2 records
- 94E · (3~{A}~{R},4~{R},5~{S},6~{R},7~{R},7~{A}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{A},4,5,6,7, 7~{A}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol · in 2 records
- 56I · [(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid · in 1 record
- 5OV · (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol · in 1 record
- 66U · (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol · in 1 record
- 66V · 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium · in 1 record
- GDQ · (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol · in 1 record
Experiment against prediction
- 5NPD chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.73 Å
- 5NPD chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.73 Å
- 5NPC chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.74 Å
- 5NPC chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.74 Å
- 5NPB chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.75 Å
- 5NPB chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.75 Å
- 4B9Z chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.75 Å
- 4B9Z chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.75 Å
- 7P4C chain AAA against the predicted model B3PEE6: TM-score 0.99, RMSD 0.75 Å
- 5NPE chain A against the predicted model B3PEE6: TM-score 0.99, RMSD 0.75 Å
Elsewhere
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