6Q6L
Crystal structure of recombinant human beta-glucocerebrosidase in complex with adamantyl-cyclophellitol inhibitor (ME656)
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 (C) | 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 | D (D) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 4 | CA, DA, E, EA, F... (B, A) | SULFATE ION | non-polymer | 96.1 | 19 | Chemie (SO4) | |||
| 5 | AA, BA, GA, HA, IA... (A, B) | ACETATE ION | non-polymer | 59.0 | 24 | Chemie (ACT) | |||
| 6 | LA, O (B, A) | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol | non-polymer | 435.6 | 2 | Chemie (RJR) | |||
| 7 | KA (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 8 | YA, ZA (A, B) | water | water | 18.0 | 936 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 497 (UniProt: P04062)
| PDB | External Database | Details |
|---|---|---|
| His 495 | Arg 534 | variant |
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 | 1010.9 | |
| Non-Polymers* | Number of molecules | 46 |
| Total formula weight | 4334.6 | |
| All* | Total formula weight | 116625.9 |
