4KTR
Crystal structure of 2-O-alpha-glucosylglycerol phosphorylase in complex with isofagomine and glycerol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | Glycoside hydrolase family 65 central catalytic | polymer | 769 | 87435.5 | 8 | UniProt (D6XZ22) | Bacillus selenitireducens | 2-O-alpha-glucosylglycerol phosphorylase |
| 2 | CB, I, KB, OA, QB... (E, A, F, D, G...) | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE | non-polymer | 147.2 | 6 | Chemie (IFM) PubChem (25178019) PubChem (44578588) PubChem (57181891) PubChem (57590942) PubChem (447607) PubChem (4452693) PubChem (89062053) PubChem (10240946) PubChem (10510991) PubChem (10820691) PubChem (10844524) PubChem (15235482) PubChem (130784980) PubChem (130905021) PubChem (174012304) | |||
| 3 | DB, EA, J (E, C, A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 3 | Chemie (1PE) PubChem (62551) | |||
| 4 | AA, AC, BA, BC, CA... (B, H, C, E, A...) | GLYCEROL | non-polymer | 92.1 | 44 | Chemie (GOL) PubChem (753) | |||
| 5 | EB, N (E, A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 2 | Chemie (P6G) PubChem (17472) | |||
| 6 | KA, PB, T, UB (C, F, A, G) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 4 | Chemie (PGE) | |||
| 7 | AB, BB, DA, JB, NA... (D, B, E, C, A...) | CALCIUM ION | non-polymer | 40.1 | 7 | Chemie (CA) PubChem (271) | |||
| 8 | MB, QA, V, YB (F, D, B, H) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 4 | Chemie (PG4) PubChem (8200) | |||
| 9 | VA, W (D, B) | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL | non-polymer | 310.4 | 2 | Chemie (7PE) PubChem (526557) | |||
| 10 | IA (C) | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL | non-polymer | 354.4 | 1 | Chemie (PE4) PubChem (448032) | |||
| 11 | DC (H) | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL | non-polymer | 398.5 | 1 | Chemie (PE5) PubChem (657096) | |||
| 12 | EC, FC, GC, HC, IC... (A, B, C, D, E...) | water | water | 18.0 | 1966 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 761 (UniProt: D6XZ22)
| PDB | External Database | Details |
|---|---|---|
| Gln 475 | Glu 475 | engineered mutation |
| Leu 762 | - | expression tag |
| Glu 763 | - | expression tag |
| His 764 | - | expression tag |
| His 765 | - | expression tag |
| His 766 | - | expression tag |
| His 767 | - | expression tag |
| His 768 | - | expression tag |
| His 769 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 699484.4 | |
| Non-Polymers* | Number of molecules | 74 |
| Total formula weight | 9246.5 | |
| All* | Total formula weight | 708730.9 |
