5X7Q
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with maltohexaose
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Glycoside hydrolase family 31 alpha-glucosidase | polymer | 1263 | 137684.2 | 2 | UniProt (A0A193PKW5) Pfam (PF01055) Pfam (PF21365) Pfam (PF17137) Pfam (PF16990) In PDB | Paenibacillus sp. 598K | alpha-1,6-glucosyltransferase / alpha-glucosidase |
| 2 | C | 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 | ||
| 3 | D, H | alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | branched | 342.3 | 2 | In PDB GlyTouCan (G69864PN) | |||
| 4 | E, G | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 666.6 | 2 | In PDB BIRD (PRD_900010) GlyTouCan (G87171PZ) | alpha-maltotetraose | ||
| 5 | F, J | alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | branched | 666.6 | 2 | In PDB GlyTouCan (G12499UL) | |||
| 6 | I | 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 | ||
| 7 | K, L | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 483.5 | 2 | In PDB BIRD (PRD_900110) GlyTouCan (G61060BJ) | acarbose-derived trisaccharide | ||
| 8 | A, B | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 9 | A, B | beta-D-glucopyranose | non-polymer | 180.2 | 2 | Chemie (BGC) | |||
| 10 | A, B | alpha-D-glucopyranose | non-polymer | 180.2 | 2 | Chemie (GLC) | |||
| 11 | A, B | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) | |||
| 12 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 12 | Chemie (MG) | |||
| 13 | A, B | SULFATE ION | non-polymer | 96.1 | 17 | Chemie (SO4) | |||
| 14 | A, B | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 9 | Chemie (MES) | |||
| 15 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
| 16 | water | water | 18.0 | 1499 | Chemie (HOH) |
Sequence modifications
A, B: 36 - 1281 (UniProt: A0A193PKW5)
| PDB | External Database | Details |
|---|---|---|
| His 19 | - | expression tag |
| His 20 | - | expression tag |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
| His 24 | - | expression tag |
| Ser 25 | - | expression tag |
| Ser 26 | - | expression tag |
| Gly 27 | - | expression tag |
| Leu 28 | - | expression tag |
| Val 29 | - | expression tag |
| Pro 30 | - | expression tag |
| Arg 31 | - | expression tag |
| Gly 32 | - | expression tag |
| Ser 33 | - | expression tag |
| His 34 | - | expression tag |
| Met 35 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 275368.4 | |
| Branched | Number of molecules | 10 |
| Total formula weight | 5651.0 | |
| Non-Polymers* | Number of molecules | 60 |
| Total formula weight | 5381.0 | |
| All* | Total formula weight | 286400.5 |
