6IJB
Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA
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) | AMP-binding domain protein | polymer | 539 | 59407.4 | 2 | UniProt (D0CPY8) UniProt (by SIFTS) (P0DX84) | Ruegeria lacuscaerulensis (strain DSM 11314 / KCTC 2953 / ITI-1157) (Silicibacter lacuscaerulensis) | 3-methylmercaptopropionate CoA ligase,MMPA CoA ligase |
| 2 | C (B) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 1 | Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (224) PubChem (34768) PubChem (83862) PubChem (40467049) PubChem (40469468) PubChem (446048) PubChem (44348067) PubChem (45358029) PubChem (40459109) PubChem (515384) PubChem (46874558) PubChem (638042) PubChem (46875232) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (5316444) PubChem (5742864) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (12163610) PubChem (12358355) PubChem (92144436) PubChem (122197642) PubChem (12358354) PubChem (162290139) PubChem (162946266) PubChem (171699505) | |||
| 3 | D (B) | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 282.3 | 1 | Chemie (B3P) PubChem (125132) | |||
| 4 | E (B) | 3-(methylsulfanyl)propanoic acid | non-polymer | 120.2 | 1 | Chemie (A8C) PubChem (563) | |||
| 5 | F, G (A, B) | water | water | 18.0 | 595 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 539 (UniProt: D0CPY8)
| PDB | External Database | Details |
|---|---|---|
| Ala 523 | Lys 523 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 118814.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 749.7 | |
| All* | Total formula weight | 119564.5 |
