6MI1
CRYSTAL STRUCTURE ANALYSIS OF THE VARIANT PLANT EXOHYDROLASE ARG158ALA-GLU161ALA IN COMPLEX WITH METHYL 6-THIO-BETA-GENTIOBIOSIDE
Replaces: 3WLSEntity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Beta-D-glucan exohydrolase isoenzyme ExoI | polymer | 609 | 65749.9 | 1 | UniProt (Q9XEI3) Pfam (PF00933) Pfam (PF01915) | Hordeum vulgare subsp. vulgare (Domesticated barley) | |
| 2 | B (B) | beta-D-glucopyranose-(1-6)-methyl 6-thio-beta-D-glucopyranoside | branched | 372.4 | 1 | In PDB BIRD (PRD_900098) GlyTouCan (G14290QQ) | METHYL 6-THIO-BETA-GENTIOBIOSIDE | ||
| 3 | C, D, E (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 4 | F, G, H, I, J... (A) | GLYCEROL | non-polymer | 92.1 | 10 | Chemie (GOL) | |||
| 5 | P, Q, R (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 6 | S (A) | water | water | 18.0 | 330 | Chemie (HOH) |
Sequence modifications
A: 0 - 605 (UniProt: Q9XEI3)
| PDB | External Database | Details |
|---|---|---|
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Ala 158 | Arg 183 | engineered mutation |
| Ala 161 | Glu 186 | engineered mutation |
| Lys 320 | Asn 345 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 65749.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 372.4 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1872.8 | |
| All* | Total formula weight | 67995.1 |
