5X7P
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with acarbose
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) | Glycoside hydrolase family 31 alpha-glucosidase | polymer | 1263 | 137684.2 | 2 | UniProt (A0A193PKW5) Pfam (PF01055) Pfam (PF21365) Pfam (PF17137) Pfam (PF16990) | Paenibacillus sp. 598K | alpha-1,6-glucosyltransferase / alpha-glucosidase |
| 2 | C, E, G, H, I... (C, E, G, H, I...) | 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-(1-4)-alpha-D-glucopyranose | branched | 645.6 | 7 | In PDB BIRD (PRD_900007) GlyTouCan (G66431MI) | alpha-acarbose | ||
| 3 | D (D) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | alpha-maltose | ||
| 4 | F, K (F, K) | 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 | ||
| 5 | HA, IA, JA, M, N... (B, A) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 6 | KA, P (B, A) | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) | |||
| 7 | LA, MA, NA, OA, PA... (B, A) | MAGNESIUM ION | non-polymer | 24.3 | 12 | Chemie (MG) | |||
| 8 | AB, BA, CB, RA, SA... (B, A) | SULFATE ION | non-polymer | 96.1 | 12 | Chemie (SO4) | |||
| 9 | AA, BB, CA, TA, VA... (A, B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 7 | Chemie (MES) | |||
| 10 | DA, DB, EA, EB, FA... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 11 | HB, IB (A, B) | water | water | 18.0 | 794 | 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 | 5828.5 | |
| Non-Polymers* | Number of molecules | 47 |
| Total formula weight | 3665.5 | |
| All* | Total formula weight | 284862.4 |
