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 | L | Uptake hydrogenase large subunit;HOXG | polymer | 603 | 67247.2 | 1 | UniProt (P31891) Pfam (PF00374) In PDB | Ralstonia eutropha | Hydrogenlyase,Membrane-bound hydrogenase large subunit |
2 | S | Uptake hydrogenase small subunit;HOXK | polymer | 328 | 36027.0 | 1 | UniProt (P31892) Pfam (PF01058) Pfam (PF14720) In PDB | Ralstonia eutropha | Hydrogenlyase,Membrane-bound hydrogenase small subunit |
3 | L | NI-FE OXIDIZED ACTIVE CENTER | non-polymer | 210.6 | 1 | Chemie (NFV) | |||
4 | L | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
5 | L, S | OXYGEN MOLECULE | non-polymer | 32.0 | 4 | Chemie (OXY) | |||
6 | L | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
7 | S | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 1 | Chemie (SF4) | |||
8 | S | FE3-S4 CLUSTER | non-polymer | 295.8 | 1 | Chemie (F3S) | |||
9 | S | FE4-S3 CLUSTER | non-polymer | 319.6 | 1 | Chemie (F4S) | |||
10 | S | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
11 | S | OXYGEN ATOM | non-polymer | 16.0 | 1 | Chemie (O) | |||
12 | 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 |