9MD0
Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02 in complex with boronate inhibitor VNRX-6752
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) | Penicillin-binding protein 2 | polymer | 330 | 35331.4 | 1 | UniProt (Q8RR30) Pfam (PF00905) UniProt (by SIFTS) (Q8G8S8) | Neisseria gonorrhoeae 35/02 | Probable peptidoglycan D,D-transpeptidase PenA,PBP-2 |
| 2 | B (A) | (3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid | non-polymer | 552.3 | 1 | Chemie (A1BJB) | |||
| 3 | C (A) | water | water | 18.0 | 19 | Chemie (HOH) |
Sequence modifications
A: 237 - 575 (UniProt: Q8RR30)
| 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 | 35331.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 552.3 | |
| All* | Total formula weight | 35883.7 |
