6KJQ
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Putative beta-lactamase | polymer | 391 | 44165.3 | 1 | UniProt (A0A0U1X4V6) | Jeotgalibacillus marinus | MlnI |
| 2 | B (A) | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one | non-polymer | 402.5 | 1 | Chemie (D9F) PubChem (359588) PubChem (451599) PubChem (5387122) PubChem (6390938) PubChem (6451096) PubChem (9978474) PubChem (10949443) PubChem (14504311) PubChem (20841551) PubChem (177446516) PubChem (66805998) PubChem (11223383) PubChem (163070467) PubChem (101716361) PubChem (123761032) PubChem (146680829) PubChem (146680830) PubChem (156963493) PubChem (163070463) PubChem (163070464) PubChem (163070465) PubChem (163070466) PubChem (163070468) PubChem (163070469) PubChem (163195044) PubChem (169423619) PubChem (170988393) PubChem (172014983) | |||
| 3 | C (A) | water | water | 18.0 | 116 | Chemie (HOH) |
Sequence modifications
A: 1 - 363 (UniProt: A0A0U1X4V6)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | initiating methionine |
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Ala 73 | Ser 85 | engineered mutation |
| Ala 76 | Lys 88 | engineered mutation |
| Leu 364 | - | expression tag |
| Glu 365 | - | expression tag |
| His 366 | - | expression tag |
| His 367 | - | expression tag |
| His 368 | - | expression tag |
| His 369 | - | expression tag |
| His 370 | - | expression tag |
| His 371 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44165.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 402.5 | |
| All* | Total formula weight | 44567.8 |
