5JT1
The 3D structure of Ni-reconstituted U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the oxidized state at 1.35 Angstrom resolution
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Periplasmic [NiFeSe] hydrogenase, small subunit | polymer | 317 | 33940.9 | 1 | UniProt (Q72AS4) Pfam (PF01058) Pfam (PF14720) In PDB | Desulfovibrio vulgaris str. Hildenborough | |
| 2 | B | Periplasmic [NiFeSe] hydrogenase, large subunit, selenocysteine-containing | polymer | 507 | 55926.1 | 1 | UniProt (Q72AS3) Pfam (PF00374) In PDB | Desulfovibrio vulgaris str. Hildenborough | |
| 3 | A | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 3 | Chemie (SF4) | |||
| 4 | A | oxygen-damaged SF4 | non-polymer | 383.6 | 1 | Chemie (6ML) | |||
| 5 | B | CARBONMONOXIDE-(DICYANO) IRON | non-polymer | 135.9 | 1 | Chemie (FCO) | |||
| 6 | B | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 7 | B | FE (II) ION | non-polymer | 55.8 | 1 | Chemie (FE2) | |||
| 8 | B | HYDROSULFURIC ACID | non-polymer | 34.1 | 1 | Chemie (H2S) | |||
| 9 | water | water | 18.0 | 758 | Chemie (HOH) |
Sequence modifications
B: 12 - 510 (UniProt: Q72AS3)
| PDB | External Database | Details |
|---|---|---|
| Trp 4 | - | expression tag |
| Ser 5 | - | expression tag |
| His 6 | - | expression tag |
| Pro 7 | - | expression tag |
| Gln 8 | - | expression tag |
| Phe 9 | - | expression tag |
| Glu 10 | - | expression tag |
| Lys 11 | - | expression tag |
| Cys 489 | Sec 489 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 89867.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1723.1 | |
| All* | Total formula weight | 91590.1 |
