5D51
Krypton derivatization of an O2-tolerant membrane-bound [NiFe] hydrogenase reveals a hydrophobic gas tunnel network
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 | polymer | 603 | 67247.2 | 1 | UniProt (P31891) Pfam (PF00374) | Cupriavidus necator (Ralstonia eutropha) | HOXG,Hydrogenlyase,Membrane-bound hydrogenase large subunit |
| 2 | B (S) | Uptake hydrogenase small subunit | polymer | 339 | 37384.5 | 1 | UniProt (P31892) Pfam (PF01058) Pfam (PF14720) | Cupriavidus necator (Ralstonia eutropha) | HOXK,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 | AA, E, F, G, H... (S, L) | KRYPTON | non-polymer | 83.8 | 19 | Chemie (KR) | |||
| 6 | BA, Q (S, L) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 7 | R (S) | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 1 | Chemie (SF4) | |||
| 8 | S (S) | FE3-S4 CLUSTER | non-polymer | 295.8 | 1 | Chemie (F3S) | |||
| 9 | T (S) | FE4-S3 CLUSTER | non-polymer | 319.6 | 1 | Chemie (F4S) | |||
| 10 | CA, DA (L, S) | water | water | 18.0 | 567 | 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 |
| Arg 329 | - | expression tag |
| Ser 330 | - | expression tag |
| Ala 331 | - | expression tag |
| Trp 332 | - | expression tag |
| Ser 333 | - | expression tag |
| His 334 | - | expression tag |
| Pro 335 | - | expression tag |
| Gln 336 | - | expression tag |
| Phe 337 | - | expression tag |
| Glu 338 | - | expression tag |
| Lys 339 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 104631.7 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 2865.0 | |
| All* | Total formula weight | 107496.7 |
