2DIJ
COMPLEX OF A Y195F MUTANT CGTASE FROM B. CIRCULANS STRAIN 251 COMPLEXED WITH A MALTONONAOSE INHIBITOR AT PH 9.8 OBTAINED AFTER SOAKING THE CRYSTAL WITH ACARBOSE AND MALTOHEXAOSE
Replaces: 1DIJEntity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | CYCLODEXTRIN GLYCOSYLTRANSFERASE | polymer | 686 | 74559.5 | 1 | UniProt (P43379) | Bacillus circulans | CGTASE |
| 2 | B (B) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | alpha-maltose | ||
| 3 | C (C) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 504.4 | 1 | In PDB BIRD (PRD_900009) GlyTouCan (G96370VA) | alpha-maltotriose | ||
| 4 | D (D) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 828.7 | 1 | In PDB BIRD (PRD_900030) GlyTouCan (G50146AM) | alpha-maltopentaose | ||
| 5 | E (E) | alpha-D-quinovopyranose-(1-4)-alpha-D-glucopyranose | branched | 326.3 | 1 | In PDB GlyTouCan (G96906VH) | |||
| 6 | F (F) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 990.9 | 1 | In PDB BIRD (PRD_900035) GlyTouCan (G91368RN) | alpha-maltohexaose | ||
| 7 | G, H (A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 8 | I (A) | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE | non-polymer | 159.2 | 1 | Chemie (ADH) | |||
| 9 | J (A) | water | water | 18.0 | 126 | Chemie (HOH) |
Sequence modifications
A: 1 - 686 (UniProt: P43379)
| PDB | External Database | Details |
|---|---|---|
| Phe 195 | Tyr 222 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 74559.5 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 2992.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 239.3 | |
| All* | Total formula weight | 77791.4 |
