4DOE
The liganded structure of Cbescii CelA GH9 module
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | 1,4-beta-glucanase | polymer | 475 | 53319.0 | 1 | UniProt (P96311) Pfam (PF00759) In PDB | Caldicellulosiruptor bescii | |
2 | B | beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900023) GlyTouCan (G86802XL) | alpha-cellobiose | ||
3 | C | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | branched | 504.4 | 1 | In PDB BIRD (PRD_900021) GlyTouCan (G14338VK) | beta-cellotriose | ||
4 | A | 1,4-DIETHYLENE DIOXIDE | non-polymer | 88.1 | 1 | Chemie (DIO) | |||
5 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
6 | A | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
7 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 26 | Chemie (EDO) | |||
8 | A | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
9 | water | water | 18.0 | 704 | Chemie (HOH) |
Sequence modifications
A: 24 - 475 (UniProt: P96311)
PDB | External Database | Details |
---|---|---|
Met 1 | - | expression tag |
Gly 2 | - | expression tag |
Ser 3 | - | expression tag |
Ser 4 | - | expression tag |
His 5 | - | expression tag |
His 6 | - | expression tag |
His 7 | - | expression tag |
His 8 | - | expression tag |
His 9 | - | expression tag |
His 10 | - | expression tag |
Ser 11 | - | expression tag |
Ser 12 | - | expression tag |
Gly 13 | - | expression tag |
Leu 14 | - | expression tag |
Val 15 | - | expression tag |
Pro 16 | - | expression tag |
Arg 17 | - | expression tag |
Gly 18 | - | expression tag |
Ser 19 | - | expression tag |
His 20 | - | expression tag |
Met 21 | - | expression tag |
Ala 22 | - | expression tag |
Ser 23 | - | expression tag |
Ala 176 | Thr 153 | conflict |
Thr 313 | Ile 290 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 53319.0 | |
Branched | Number of molecules | 2 |
Total formula weight | 846.7 | |
Non-Polymers* | Number of molecules | 37 |
Total formula weight | 2582.7 | |
All* | Total formula weight | 56748.4 |