8QML
(2R,4R)-MeTDA bound HydE structure (control experiment)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | [FeFe] hydrogenase maturase subunit HydE | polymer | 358 | 41025.4 | 1 | UniProt (Q9X0Z6) Pfam (PF04055) | Thermotoga maritima MSB8 | |
| 2 | B (A) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 1 | Chemie (SAH) | |||
| 3 | C (A) | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid | non-polymer | 191.2 | 1 | Chemie (41K) | |||
| 4 | D, E, F, G, H (A) | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE | non-polymer | 614.9 | 5 | Chemie (CPS) | |||
| 5 | I (A) | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 1 | Chemie (SF4) | |||
| 6 | J (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | K (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 8 | L (A) | water | water | 18.0 | 324 | Chemie (HOH) |
Sequence modifications
A: 2 - 348 (UniProt: Q9X0Z6)
| PDB | External Database | Details |
|---|---|---|
| Met -9 | - | initiating methionine |
| Trp -8 | - | expression tag |
| Ser -7 | - | expression tag |
| His -6 | - | expression tag |
| Pro -5 | - | expression tag |
| Gln -4 | - | expression tag |
| Phe -3 | - | expression tag |
| Glu -2 | - | expression tag |
| Lys -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Ser 1 | - | expression tag |
| Oty 114 | Tyr 114 | modified residue |
| Ser 311 | Cys 311 | engineered mutation |
| Ser 319 | Cys 319 | engineered mutation |
| Ser 322 | Cys 322 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41025.4 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 4133.2 | |
| All* | Total formula weight | 45158.5 |
