3O3N
(R)-2-hydroxyisocaproyl-CoA dehydratase in complex with its substrate (R)-2-hydroxyisocaproyl-CoA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | alpha-subunit 2-hydroxyisocaproyl-CoA dehydratase | polymer | 408 | 46383.9 | 2 | UniProt (Q5U924) Pfam (PF06050) | Clostridium difficile | |
| 2 | B, D (B, D) | beta-subunit 2-hydroxyacyl-CoA dehydratase | polymer | 385 | 43621.1 | 2 | UniProt (Q5U923) Pfam (PF06050) | Clostridium difficile | |
| 3 | E, G, I, K (A, B, C, D) | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 4 | Chemie (SF4) | |||
| 4 | F, J (A, C) | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate | non-polymer | 881.7 | 2 | Chemie (IRC) | |||
| 5 | H, L (B, D) | HYDROSULFURIC ACID | non-polymer | 34.1 | 2 | Chemie (H2S) | |||
| 6 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 1206 | Chemie (HOH) |
Sequence modifications
B, D: 1 - 375 (UniProt: Q5U923)
| PDB | External Database | Details |
|---|---|---|
| Ser 376 | - | expression tag |
| Ala 377 | - | expression tag |
| Trp 378 | - | expression tag |
| Ser 379 | - | expression tag |
| His 380 | - | expression tag |
| Pro 381 | - | expression tag |
| Gln 382 | - | expression tag |
| Phe 383 | - | expression tag |
| Glu 384 | - | expression tag |
| Lys 385 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 180009.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 3238.1 | |
| All* | Total formula weight | 183248.0 |
