6TW4
HumRadA22F in complex with compound 6
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | DNA repair and recombination protein RadA | polymer | 243 | 26714.4 | 1 | UniProt (O74036) Pfam (PF08423) In PDB | Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) | |
| 2 | A | ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | non-polymer | 460.5 | 1 | Chemie (NZW) | |||
| 3 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | water | water | 18.0 | 143 | Chemie (HOH) |
Sequence modifications
A: 108 - 349 (UniProt: O74036)
| PDB | External Database | Details |
|---|---|---|
| Met 107 | - | initiating methionine |
| Ala 168 | Val 168 | engineered mutation |
| Met 169 | Ile 169 | engineered mutation |
| Tyr 170 | Trp 170 | engineered mutation |
| Leu 182 | Ile 182 | engineered mutation |
| Asp 198 | Lys 198 | engineered mutation |
| Asn 199 | His 199 | engineered mutation |
| Val 200 | Ile 200 | engineered mutation |
| Ala 201 | Tyr 201 | engineered mutation |
| Tyr 202 | Val 202 | engineered mutation |
| Met 221 | Lys 221 | engineered mutation |
| Asn 288 | Arg 288 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26714.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 500.6 | |
| All* | Total formula weight | 27215.0 |
