6Q6K
Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Glucosylceramidase | polymer | 497 | 55640.2 | 2 | UniProt (P04062) Pfam (PF02055) Pfam (PF17189) | Homo sapiens (Human) | Acid beta-glucosidase,Alglucerase,Beta-glucocerebrosidase,Beta-GC,D-glucosyl-N-acylsphingosine glucohydrolase,Imiglucerase |
| 2 | C, D (C, D) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 3 | BB, E, EA, F, FA... (B, A) | ACETATE ION | non-polymer | 59.0 | 20 | Chemie (ACT) | |||
| 4 | AA, BA, CA, N, O... (A, B) | SULFATE ION | non-polymer | 96.1 | 27 | Chemie (SO4) | |||
| 5 | AB, DA (B, A) | 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide | non-polymer | 723.9 | 2 | Chemie (HKW) | |||
| 6 | OA (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 7 | CB, DB (A, B) | water | water | 18.0 | 699 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 497 (UniProt: P04062)
| PDB | External Database | Details |
|---|---|---|
| His 495 | Arg 534 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 111280.3 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 848.8 | |
| Non-Polymers* | Number of molecules | 50 |
| Total formula weight | 5443.6 | |
| All* | Total formula weight | 117572.8 |
