3U16
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)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 (A, B) | Peptide arylation enzyme | polymer | 544 | 60868.3 | 2 | UniProt (B2HVG8) | Acinetobacter baumannii | |
| 2 | C, I (A, B) | 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | non-polymer | 436.5 | 2 | Chemie (H89) | |||
| 3 | D, E, F, G, J... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 4 | H (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 | 511 | 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 | SEE REMARK 999 |
| 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 | 1349.7 | |
| All* | Total formula weight | 123086.3 |
