5MDL
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (L) | Uptake hydrogenase large subunit;HOXG | polymer | 603 | 67247.2 | 1 | UniProt (P31891) Pfam (PF00374) | Ralstonia eutropha | Hydrogenlyase,Membrane-bound hydrogenase large subunit |
| 2 | B (S) | Uptake hydrogenase small subunit;HOXK | polymer | 328 | 36027.0 | 1 | UniProt (P31892) Pfam (PF01058) Pfam (PF14720) | Ralstonia eutropha | Hydrogenlyase,Membrane-bound hydrogenase small subunit |
| 3 | C (L) | NI-FE OXIDIZED ACTIVE CENTER | non-polymer | 210.6 | 1 | Chemie (NFV) | |||
| 4 | D (L) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E, F, G, L (L, S) | OXYGEN MOLECULE | non-polymer | 32.0 | 4 | Chemie (OXY) | |||
| 6 | H (L) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 7 | I (S) | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 1 | Chemie (SF4) | |||
| 8 | J (S) | FE3-S4 CLUSTER | non-polymer | 295.8 | 1 | Chemie (F3S) | |||
| 9 | K (S) | FE4-S3 CLUSTER | non-polymer | 319.6 | 1 | Chemie (F4S) | |||
| 10 | M (S) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 11 | N (S) | OXYGEN ATOM | non-polymer | 16.0 | 1 | Chemie (O) | |||
| 12 | O, P (L, S) | water | water | 18.0 | 603 | Chemie (HOH) |
Sequence modifications
S: 1 - 317 (UniProt: P31892)
| PDB | External Database | Details |
|---|---|---|
| Arg 318 | - | expression tag |
| Ser 319 | - | expression tag |
| Ala 320 | - | expression tag |
| Trp 321 | - | expression tag |
| Ser 322 | - | expression tag |
| His 323 | - | expression tag |
| Pro 324 | - | expression tag |
| Gln 325 | - | expression tag |
| Phe 326 | - | expression tag |
| Glu 327 | - | expression tag |
| Lys 328 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 103274.2 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1487.5 | |
| All* | Total formula weight | 104761.7 |
