6JGL
Crystal structure of barley exohydrolaseI W434H mutant in complex with methyl 2-thio-beta-sophoroside
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1 | polymer | 609 | 65846.0 | 1 | UniProt (A0A287SCR5) Pfam (PF00933) Pfam (PF01915) UniProt (by SIFTS) (Q9XEI3) In PDB | Hordeum vulgare subsp. vulgare (Domesticated barley) | |
2 | B | beta-D-glucopyranose-(1-2)-methyl 2-thio-beta-D-glucopyranoside | branched | 372.4 | 1 | BIRD (PRD_900099) | METHYL 2-THIO-BETA-SOPHOROSIDE | ||
3 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
5 | A | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
6 | A | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 2 | Chemie (1PE) | |||
7 | A | ACETATE ION | non-polymer | 59.0 | 5 | Chemie (ACT) | |||
8 | water | water | 18.0 | 681 | Chemie (HOH) |
Sequence modifications
A: 1 - 605 (UniProt: A0A287SCR5)
PDB | External Database | Details |
---|---|---|
His -3 | - | expression tag |
His -2 | - | expression tag |
Ala -1 | - | expression tag |
Ala 0 | - | expression tag |
Lys 320 | Asn 399 | See sequence details |
His 434 | Trp 513 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 65846.0 | |
Branched | Number of molecules | 1 |
Total formula weight | 372.4 | |
Non-Polymers* | Number of molecules | 17 |
Total formula weight | 2095.9 | |
All* | Total formula weight | 68314.3 |