9Z5T
Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with boronate inhibitor VNRX-14079
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Probable peptidoglycan D,D-transpeptidase PenA | polymer | 330 | 35361.5 | 1 | UniProt (F2Z7K9) | Neisseria gonorrhoeae | Penicillin-binding protein 2,PBP-2 |
| 2 | B (A) | (3R)-7-fluoro-3-{[(2R)-2-(3-fluoro-4-phosphonophenyl)-2-{[3-(methanesulfonyl)-2-oxoimidazolidine-1-carbonyl]amino}acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid | non-polymer | 646.3 | 1 | Chemie (A1C02) | |||
| 3 | C (A) | water | water | 18.0 | 77 | Chemie (HOH) |
Sequence modifications
A: 237 - 575 (UniProt: F2Z7K9)
| PDB | External Database | Details |
|---|---|---|
| Gly 232 | - | expression tag |
| Ser 233 | - | expression tag |
| Gly 234 | - | expression tag |
| Gly 235 | - | expression tag |
| Ala 236 | - | expression tag |
| Gly 297 | Ala 283 | conflict |
| - | Tyr 284 | deletion |
| - | Glu 285 | deletion |
| - | Pro 286 | deletion |
| - | Asn 287 | deletion |
| - | Lys 288 | deletion |
| - | Pro 289 | deletion |
| - | Gly 290 | deletion |
| - | Gln 291 | deletion |
| - | Ala 292 | deletion |
| - | Asp 293 | deletion |
| - | Ser 294 | deletion |
| - | Glu 295 | deletion |
| - | Gln 296 | deletion |
| - | Arg 297 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35361.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 646.3 | |
| All* | Total formula weight | 36007.8 |
