6JGK
Crystal structure of barley exohydrolaseI W434F mutant in complex with 4I,4III,4V-S-trithiocellohexaose
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Uncharacterized protein | polymer | 609 | 65855.0 | 1 | UniProt (A0A287SCR5) Pfam (PF00933) Pfam (PF01915) UniProt (by SIFTS) (Q9XEI3) | Hordeum vulgare subsp. vulgare (Domesticated barley) | |
| 2 | B (B) | beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-1-thio-beta-D-glucopyranose | branched | 536.6 | 1 | BIRD (PRD_900034) | thio-beta-cellobiose | ||
| 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 | 6 | Chemie (GOL) | |||
| 5 | L, M, N, O (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 6 | P, Q, R, S, T... (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 11 | Chemie (1PE) | |||
| 7 | AA, BA, CA, DA (A) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 8 | EA (A) | water | water | 18.0 | 672 | 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 | conflict |
| Phe 434 | Trp 513 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 65855.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 536.6 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 4457.7 | |
| All* | Total formula weight | 70849.3 |
