6HDY
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with S3-HB-AMP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 2-hydroxyisobutyryl-CoA synthetase | polymer | 499 | 55943.1 | 1 | UniProt (I3VE75) Pfam (PF00501) Pfam (PF14535) | Aquincola tertiaricarbonis | |
| 2 | B (A) | (3S)-3-HYDROXYBUTANOIC ACID | non-polymer | 104.1 | 1 | Chemie (3HL) | |||
| 3 | C (A) | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{S})-3-oxidanylbutanoate | non-polymer | 433.3 | 1 | Chemie (8LQ) | |||
| 4 | D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | G (A) | water | water | 18.0 | 150 | Chemie (HOH) |
Sequence modifications
A: 1 - 477 (UniProt: I3VE75)
| PDB | External Database | Details |
|---|---|---|
| Met -10 | - | initiating methionine |
| Ala -9 | - | expression tag |
| Ser -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Gly 478 | - | expression tag |
| Ser 479 | - | expression tag |
| Ala 480 | - | expression tag |
| Trp 481 | - | expression tag |
| Ser 482 | - | expression tag |
| His 483 | - | expression tag |
| Pro 484 | - | expression tag |
| Gln 485 | - | expression tag |
| Phe 486 | - | expression tag |
| Glu 487 | - | expression tag |
| Lys 488 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 55943.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 825.6 | |
| All* | Total formula weight | 56768.7 |
