3O83
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine
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) | Peptide arylation enzyme | polymer | 544 | 60868.3 | 2 | UniProt (B2HVG8) | Acinetobacter baumannii | |
| 2 | C, H (A, B) | 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine | non-polymer | 701.8 | 2 | Chemie (IXN) | |||
| 3 | D, E, F, I, J... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 4 | G (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 5 | L (B) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
| 6 | M, N (A, B) | water | water | 18.0 | 513 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 542 (UniProt: B2HVG8)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| His 0 | - | expression tag |
| Leu 45 | Pro 45 | engineered mutation |
| Thr 68 | Ser 68 | SEE REMARK 999 |
| Asp 149 | Glu 149 | SEE REMARK 999 |
| Phe 180 | Leu 180 | SEE REMARK 999 |
| Gly 226 | Asp 226 | SEE REMARK 999 |
| Leu 329 | Ile 329 | SEE REMARK 999 |
| Arg 378 | Lys 378 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 121736.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1880.4 | |
| All* | Total formula weight | 123616.9 |
