4IIE
Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with calystegine B(2)
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) | Beta-glucosidase 1 | polymer | 841 | 91231.1 | 2 | UniProt (P48825) | Aspergillus aculeatus | Beta-D-glucoside glucohydrolase, Cellobiase, Gentiobiase |
| 2 | C (C) | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G22573RC) | |||
| 3 | D, G, L, N (D, G, L, N) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 4 | In PDB GlyTouCan (G15407YE) | |||
| 4 | E (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) | |||
| 5 | F, M (F, M) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1721.5 | 2 | In PDB GlyTouCan (G89864BN) | |||
| 6 | H, O (H, O) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1235.1 | 2 | In PDB GlyTouCan (G92805XC) | |||
| 7 | I (I) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1235.1 | 1 | In PDB GlyTouCan (G91845HM) | |||
| 8 | J (J) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1235.1 | 1 | In PDB GlyTouCan (G46836GH) | |||
| 9 | K (K) | alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 1 | In PDB GlyTouCan (G09724ZC) | |||
| 10 | P (P) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1397.2 | 1 | In PDB GlyTouCan (G34499SX) | |||
| 11 | Q, R, X, Y, Z (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 12 | AA, BA, CA, S, T... (B, A) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 6 | Chemie (MRD) PubChem (7870) PubChem (5288834) PubChem (5288845) | |||
| 13 | DA, V (B, A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) PubChem (923) | |||
| 14 | EA, W (B, A) | CALYSTEGINE B2 | non-polymer | 175.2 | 2 | Chemie (CGB) PubChem (21733120) PubChem (23351210) PubChem (45109756) PubChem (45109805) PubChem (45111824) PubChem (45111962) PubChem (23642747) PubChem (49863497) PubChem (124434) PubChem (49868347) PubChem (53253400) PubChem (3035504) PubChem (384346) PubChem (59051432) PubChem (443000) PubChem (3693124) PubChem (5315616) PubChem (101927053) PubChem (92212920) PubChem (92417128) PubChem (6324868) PubChem (101121407) PubChem (101700058) PubChem (101786209) PubChem (9793995) PubChem (10154271) PubChem (10313337) PubChem (10329813) PubChem (10559162) PubChem (146156843) PubChem (132350829) PubChem (133626262) PubChem (135080832) PubChem (154496293) PubChem (163187777) | |||
| 15 | FA, GA (A, B) | water | water | 18.0 | 1323 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 182462.3 | |
| Branched | Number of molecules | 14 |
| Total formula weight | 14372.9 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 2211.4 | |
| All* | Total formula weight | 199046.6 |
