6T13
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Glucosylceramidase | polymer | 536 | 59762.0 | 4 | UniProt (B2R6A7) Pfam (PF02055) Pfam (PF17189) UniProt (by SIFTS) (P04062) In PDB | Homo sapiens (Human) | |
| 2 | E | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | C, A, D, B | SULFATE ION | non-polymer | 96.1 | 14 | Chemie (SO4) | |||
| 4 | A, B | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 2 | Chemie (TRS) | |||
| 5 | A, D, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
| 6 | D, B, C | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 7 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | C, D | 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone | non-polymer | 364.4 | 2 | Chemie (M7H) | |||
| 9 | C, D | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 10 | water | water | 18.0 | 1476 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 239047.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 33 |
| Total formula weight | 3703.3 | |
| All* | Total formula weight | 243175.6 |
