6HE2
Crystal structure of an open conformation of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in complex with 2-HIB-AMP and CoA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | 2-hydroxyisobutyryl-CoA synthetase | polymer | 499 | 55943.1 | 2 | UniProt (I3VE75) | Aquincola tertiaricarbonis | |
| 2 | C, F (A, B) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (40459109) PubChem (46875232) PubChem (40467049) PubChem (40469468) PubChem (44348067) PubChem (45358029) PubChem (177678969) PubChem (6083) PubChem (46874558) PubChem (1549371) PubChem (92144436) PubChem (57358045) PubChem (12358354) PubChem (57879893) PubChem (57879902) PubChem (224) PubChem (122197642) PubChem (34768) PubChem (83862) PubChem (446048) PubChem (515384) PubChem (638042) PubChem (5316444) PubChem (5742864) PubChem (12163610) PubChem (12358355) PubChem (162290139) PubChem (162946266) PubChem (171699505) | |||
| 3 | D, G (A, B) | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate | non-polymer | 433.3 | 2 | Chemie (8LE) PubChem (138857891) | |||
| 4 | E, H (A, B) | COENZYME A | non-polymer | 767.5 | 2 | Chemie (COA) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 291 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 111886.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 3096.1 | |
| All* | Total formula weight | 114982.3 |
