3O84
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Peptide arylation enzyme | polymer | 544 | 60868.3 | 2 | UniProt (B2HVG8) In PDB | Acinetobacter baumannii | |
| 2 | A, B | 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | non-polymer | 330.3 | 2 | Chemie (HTJ) | |||
| 3 | A, B | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 4 | A | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 5 | B | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
| 6 | B | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | water | water | 18.0 | 434 | 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 | 9 |
| Total formula weight | 1207.5 | |
| All* | Total formula weight | 122944.1 |
