3U17
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)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-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | non-polymer | 434.4 | 2 | Chemie (H90) | |||
3 | A, B | CALCIUM ION | non-polymer | 40.1 | 7 | 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 | water | water | 18.0 | 381 | 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 | 11 |
Total formula weight | 1385.8 | |
All* | Total formula weight | 123122.3 |