9RQ5
Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry D07
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) | FosA family fosfomycin resistance glutathione transferase | polymer | 145 | 16309.3 | 2 | UniProt (A0A086IRG1) | Klebsiella pneumoniae | FosA_9_NZ_ACZD01000244,Fosfomycin resistance protein FosA |
| 2 | C (A) | 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide | non-polymer | 255.3 | 1 | Chemie (SYJ) | |||
| 3 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | E, H (A, B) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 5 | F (A) | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 6 | G (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 7 | I, J (A, B) | water | water | 18.0 | 471 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 139 (UniProt: A0A086IRG1)
| PDB | External Database | Details |
|---|---|---|
| His 140 | - | expression tag |
| His 141 | - | expression tag |
| His 142 | - | expression tag |
| His 143 | - | expression tag |
| His 144 | - | expression tag |
| His 145 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 32618.7 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 585.2 | |
| All* | Total formula weight | 33203.9 |
